CAS 1319-33-1 · NaCaB5O9·8H2O · MolGod PREDICTED 3D molecular model (computed by MolGod Scientific, not verified)
Ulexite (CAS 1319-33-1) — MolGod molecule record: properties, safety, literature and sources for this substance.
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+UFF 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 11 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.
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.| CAS Registry Number | 1319-33-1 |
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| Name source | cache cas-*.json field "title" (angielski) |
| Molecular formula | NaCaB5O9·8H2O |
| PubChem CID | 102600792 |
| InChIKey | RNCQTUQXZQSENY-UHFFFAOYSA-N |
| MolGod molecule record | Ulexite (CAS 1319-33-1) — molecule record |
| Source | PubChem (source record type not recorded for this substance) |
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| Endpoint | Not recorded in the MolGod cache entry for this substance. |
| Dimensionality | 2d |
| Retrieved | 2026-09-03 17:57:35 |
| Atoms / bonds | 40 / 31 |
| Modification | PREDICTED 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. |
3-D model not built yet. A predicted conformer exists, but B, Ca have no van der Waals radius in our sourced radius table MG2. We do not substitute a default size; the model will be built once a radius with a cited source is added. Once published, this record will carry its hash, size and pipeline version.
| Source representation | PubChem 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. |
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| 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 | undetermined — 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 102600792 |
| 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/1319-33-1/ |
| License & provenance URL | https://molgod.org/licenses/stl/1319-33-1/ |
| 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 → |
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.