Download imageCAS 58-55-9 · C7H8N4O2 · MolGod 3D molecular model
theophylline (CAS 58-55-9) — full MolGod record: all data sections for this substance — properties, safety, regulatory status, spectra, literature.
| MolGod Identification Number | MG_539-553-941-70
|
|---|---|
| CAS Registry Number | 58-55-9 |
| Name source | MolGod_Name_Registry (en) |
| Molecular formula | C7H8N4O2 |
| PubChem CID | 2153 |
| InChIKey | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| Wikidata | Q407308 |
| MolGod molecule record | theophylline (CAS 58-55-9) — molecule record |
| Full MolGod record | theophylline — full record (all data sections) |
| Source | PubChem, record_type=3d (computed conformer) |
|---|---|
| Endpoint | https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2153/record/SDF?record_type=3d |
| Dimensionality | 3d |
| Retrieved | 2026-09-04 05:30:32 |
| Atoms / bonds | 21 / 22 |
| Modification | None. Atomic coordinates and connectivity are used unchanged; no geometry was modelled, adjusted or inferred. |
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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.
Download imageThis exact rendered image on Wikimedia Commons
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: 273,202 triangles versus 9,216.
Download engraved variant:
Theophylline-3D-molecular-model-engraved-CAS-58-55-9.stl (13 MB)
SHA-256 ba653aed65ee5423a5dfa36e7e75d83fe8044fbd0f8b35b0bf95ed5ec2704c36
Validation: mesh validity check PASS before publication (2026-10-14); overlay check PASS (7 of 7 common criteria, 3 of 3 fused-solid criteria correctly inverted), checked 2026-10-15T03:13:13Z
Recommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 7.2 mm per Å (model about 49 mm across); resin printer (50 µm) at least 1.7 mm per Å (about 12 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.
This exact engraved file on Wikimedia Commons
| Format | STL (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 scale | Recommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 3.4 mm per Å (model about 28 mm across); resin printer (50 µm) at least 0.5 mm per Å (about 5 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. |
| Download | Theophylline-3D-molecular-model-CAS-58-55-9.stl (450 KB) |
| SHA-256 | 3a67b421d5da939da21fd9ce1313969d0a602ae9a3578e52360bbb141bb689d6 |
| MD5 | 96fc41c7f40a4f00ab83d48bf9a72af1 |
| Size | 460,884 bytes |
| Triangles | 9,216 |
| Mesh | 21 atom spheres + 26 bond cylinders (one, two or three per bond, by bond order), each a closed outward-oriented solid; the solids intersect by design. |
| Atomic radii | van 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. Used in this model: C 1.70 Å, H 1.20 Å, N 1.55 Å, O 1.52 Å. The file header declares vdw:MG2.Sphere scale and bond radius are presentation parameters, not chemical quantities. |
| Exporter | MolGod STL Exporter build 48804cd20b0d |
| Validator | mesh validity check PASS before publication (2026-10-14); independently confirmed by trimesh 5.1.0 and numpy-stl (8832 triangles, watertight, consistent winding, positive volume), checked 2026-09-26T00:14:31Z |
| Generated | 2026-10-14T18:09:45Z |
| License | CC BY-SA 4.0 International |
|---|---|
| Creator | MolGod Scientific |
| Required attribution | "theophylline (CAS 58-55-9) — 3D molecular model" by MolGod Scientific, licensed under CC BY-SA 4.0 International. Rendered as a triangulated mesh (van der Waals spheres and bond cylinders) from the PubChem-computed 3D conformer; atomic coordinates and connectivity unchanged. Source: https://molgod.org/licenses/stl/58-55-9/ |
| Wikimedia Commons tag | {{Cc-by-sa-4.0}} |
| Source representation | PubChem computed 3D conformer (record_type=3d) — generated by PubChem itself, not supplied by a depositor. |
| Source rights basis | NCBI 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 assessment | compatible — 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 scope | This 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 URL | PubChem CID 2153 |
| Source license terms | NCBI Policies and Disclaimers |
| Source licensing guidance | PubChem 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 URL | https://molgod.org/molecule/58-55-9/ |
| License & provenance URL | https://molgod.org/licenses/stl/58-55-9/ |
| Scope | This license applies to the MolGod-created STL mesh, not automatically to third-party source material. |
| Licence terms & attribution | MolGod licence and attribution rules → |
Licence grant. MolGod Scientific, the creator and
copyright holder of the STL mesh of MolGod entity
MG_539-553-941-70, variant normal
(SHA-256 3a67b421d5da939da21fd9ce1313969d0a602ae9a3578e52360bbb141bb689d6),
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.
