Lead diacetate — License & Provenance

CAS 301-04-2 · C₄H₆O₄Pb · MolGod PREDICTED 3D molecular model (computed by MolGod Scientific, not verified)

Lead diacetate (CAS 301-04-2) — full MolGod record: all data sections for this substance — properties, safety, regulatory status, spectra, literature.

PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 3 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/9317
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
License not yet granted for this model. Source rights are undetermined. A Creative Commons license may only be applied by a party holding the necessary rights, so this record documents provenance but does not yet grant a license.

Identity

MolGod Identification NumberMG_387-926-280-98
CAS Registry Number301-04-2
Name sourcecache cas-*.json field "title" (angielski)
Molecular formulaC₄H₆O₄Pb
PubChem CID9317
InChIKeyGUWSLQUAAYEZAF-UHFFFAOYSA-L
WikidataQ422837
MolGod molecule recordLead diacetate (CAS 301-04-2) — molecule record
Full MolGod recordLead diacetate — full record (all data sections)

Geometry provenance

SourcePubChem (source record type not recorded for this substance)
EndpointNot recorded in the MolGod cache entry for this substance.
Dimensionality2d
Retrieved2026-08-25 11:11:28
Atoms / bonds15 / 12
ModificationPREDICTED geometry. Atomic coordinates were computed by MolGod Scientific (RDKit ETKDGv3 + force field) from the structural formula, because no source 3-D conformer was available. They are not measured, not from PubChem and not verified.

Preview

PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data
PREDICTED 3D molecular model (computed by MolGod Scientific, not verified) of Lead diacetate (CAS 301-04-2), ball-and-stick representation, rendered from the MolGod STL fileDownload image


Rendered from this exact STL file, not from a second source. Single material — the STL format carries no colour channel. Colours in the preview are assigned by the renderer from the element palette and are not part of the downloadable geometry.

Engraved variant

PREDICTED 3D molecular model (computed by MolGod Scientific, not verified) of Lead diacetate (CAS 301-04-2), engraved variant: element symbols recessed into each atom sphere, rendered from the MolGod STL fileDownload image

The element symbol is cut into the sphere, not printed on it. That single difference is what this variant is for.

Why the preview looks the way it does. A carved letter has no colour of its own — on a pale atom it would disappear into the highlight. The preview is rendered from the mesh itself with ray-traced cavity shading, so recesses darken because they are recessed, not because we painted them. What you see is the geometry you will receive. The element colours follow the same palette as the interactive viewer on this site, so the model and the viewer never disagree about what an atom is.

Element symbols are recessed into the atom spheres. Mesh: 216,382 triangles versus 6,144.

Download engraved variant: Lead diacetate-3D-molecular-model-engraved-CAS-301-04-2.stl (10 MB)
SHA-256 011c969ed37cdda3e7767194e20538f7a23dcdb201be10bcf6f3a805934c4245
Validation: mesh validity check PASS before publication (2026-10-14); external cross-check NOT PERFORMED for this model
Recommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 7.2 mm per Å (model about 82 mm across); resin printer (50 µm) at least 1.7 mm per Å (about 20 mm). Below this scale the engraved symbols become too fine to print. The printer limits are typical values assumed by MolGod, not a test of your printer.

Artefact

FormatSTL (binary). Coordinate convention: ångström (Å) — STL itself stores no unit metadata. Slicers read STL as millimetres by default, so set the scale deliberately before printing.
Print scaleRecommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 3.4 mm per Å (model about 47 mm across); resin printer (50 µm) at least 0.5 mm per Å (about 7 mm). Below this scale the thinnest bond cylinders become too thin to print. The printer limits are typical values assumed by MolGod, not a test of your printer.
DownloadLead diacetate-3D-molecular-model-CAS-301-04-2.stl (300 KB)
SHA-2562a47fc3f0739b7af33fe83335d0cc30677bd9d7a37f7ae165e3c5f7655d25190
MD5cb7f5606627c21d7c7b409c9920a2c5d
Size307,284 bytes
Triangles6,144
Mesh15 atom spheres + 14 bond cylinders (one, two or three per bond, by bond order), each a closed outward-oriented solid; the solids intersect by design.
Atomic radiivan der Waals radii from the versioned MolGod table MG2, values from Bondi 1964 (doi:10.1021/j100785a001), checked against the original publication: Table I, p. 443; Table XIV, p. 449. Used in this model: C 1.70 Å, H 1.20 Å, O 1.52 Å, Pb 2.02 Å‡.
‡Pb: Alvarez (2013) notes that Bondi gave few radii for metals and that they are “in general inconsistent for describing the E⋯O contacts”; the value is used as a presentation size.
‡Pb: Bondi’s radius of the metal atom in the non-bonded state, derived from critical volumes. For a cation in a salt this is a presentation size, not an ionic radius.
The file header declares vdw:MG2.
Sphere scale and bond radius are presentation parameters, not chemical quantities.
ExporterMolGod STL Exporter build 48804cd20b0d
Validatormesh validity check PASS before publication (2026-10-14); external cross-check (trimesh/numpy-stl) NOT PERFORMED for this model
Generated2026-10-14T15:26:56Z
The STL format stores no bond-order or colour metadata. Bond order is therefore shown geometrically — one, two or three cylinders per bond, following the PubChem Kekulé structure, in both the canonical and the engraved variant — and preserved as data in this record and in the accompanying metadata.

License

LicenseCC BY-SA 4.0 International
CreatorMolGod Scientific
Required attribution"Lead diacetate (CAS 301-04-2) — PREDICTED 3D molecular model (computed by MolGod Scientific, not verified)" by MolGod Scientific. PREDICTED geometry: conformer computed by MolGod Scientific with RDKit (ETKDGv3) from the PubChem structural formula, NOT verified against measured data; rendered as a triangulated mesh (van der Waals spheres and bond cylinders). LICENCE NOT YET GRANTED: source rights are not established, so no Creative Commons licence is asserted for this model. Provenance: https://molgod.org/licenses/stl/301-04-2/
Wikimedia Commons tag{{Cc-by-sa-4.0}}
Source representationPubChem record used for identity and connectivity only (SMILES, InChIKey). no source 3D conformer was available to MolGod for this substance; the geometry is a PREDICTED conformer computed by MolGod Scientific and is not verified.
Source rights basisNCBI Molecular Data Usage Policy. NCBI does not itself restrict use or redistribution of molecular data, but does not transfer rights that individual depositors may hold.
Rights assessmentundetermined — MolGod's own determination that this computed conformer may serve as the geometric basis of a derived mesh. This is not a licence grant by the source. The measured basis is that the conformer is computed by PubChem rather than deposited by a third party. A formal legal assessment of downstream rights has not been carried out; that risk is accepted explicitly and recorded in the MolGod decision register (2026-09-25).
Assessment scopeThis assessment covers only the computed 3D conformer used as geometric input. It does not extend to depositor data obtained from PubChem — names, spectra, physicochemical values or anything else.
Source URLPubChem CID 9317
Source license termsNCBI Policies and Disclaimers
Source licensing guidancePubChem data downloads & licensing — PubChem states that an individual data source may provide its own licence terms and that these should be checked per source. This model uses a PubChem-computed conformer, not depositor-supplied data.
Attribution URLhttps://molgod.org/molecule/301-04-2/
License & provenance URLhttps://molgod.org/licenses/stl/301-04-2/
ScopeThis license applies to the MolGod-created STL mesh, not automatically to third-party source material.
Licence terms & attributionMolGod licence and attribution rules →

Licence grant. MolGod Scientific, the creator and copyright holder of the STL mesh of MolGod entity MG_387-926-280-98, variant normal (SHA-256 2a47fc3f0739b7af33fe83335d0cc30677bd9d7a37f7ae165e3c5f7655d25190), hereby releases it under the CC BY-SA 4.0 International licence. The release covers the MolGod-created mesh only, not third-party source material (see Scope above).

The license above is the legal instrument and is granted by its official Creative Commons deed. This page is the MolGod provenance record for the artefact; it documents the source and the pipeline, and does not impose any condition beyond those of the license itself.