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Molecule
Sodium Phosphomolybdate (Na3Pmo12O40)
CAS: 1313-30-0 · Mo12Na3O40P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1313-30-0
- Molecular Formula
- Mo12Na3O40P
- Molecular Mass
- 1891.1840000000013 g/mol
Identifiers
CAS Registry Number
1313-30-0
SMILES
O=P([O-])([O-])[O-].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Mo+4].[Na+].[Na+].[Na+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O].[O]
InChI Key
AUCIDCXHMMXGHV-UHFFFAOYSA-K
InChI
InChI=1S/12Mo.3Na.H3O4P.36O/c;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q12*+4;3*+1;;;;;;;;;;;;;;24*-2/p-3
Names and Synonyms
- Sodium Phosphomolybdate (Na3Pmo12O40) Common Name
- Molybdate(3-), tetracosa-μ-oxododecaoxo[μ12-[phosphato(3-)-κO:κO:κO:κO′:κO′:κO′:κO′′:κO′′:κO′′:κO′′′:κO′′′:κO′′′]]dodeca-, sodium (1:3) Synonym
- Molybdophosphoric acid (H3PMo12O40), trisodium salt Synonym
- Molybdate(3-), tetracosa-μ-oxododecaoxo[μ12-[phosphato(3-)-O:O:O:O′:O′:O′:O′′:O′′:O′′:O′′′:O′′′:O′′′]]dodeca-, trisodium Synonym
- Sodium molybdophosphate (Na3PMo12O40) Synonym
- Molybdate(3-), tetracosa-μ-oxododecaoxo[μ12-[phosphato(3-)-κO:κO:κO:κO′:κO′:κO′:κO′′:κO′′:κO′′:κO′′′:κO′′′:κO′′′]]dodeca-, trisodium Synonym
- Phosphoric acid, molybdenum complex Synonym
- Sodium phosphomolybdate (Na3PMo12O40) Synonym
- PM 102 Synonym
- Na3PMo12O40 Synonym
- Sodium molybdophosphate (Na3Mo12PO40) Synonym
- Molybdenum sodium oxide phosphate (Mo12Na3O36(PO4)) Synonym
- Molybdenum sodium oxide phosphide (Mo12Na3O40P) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [Na+].O=[Mo+4]1234[O-2][Mo+4]567(=O)[O-2][Mo+4]89(=O)([O-2]1)[O-2][Mo+4]%10%11%12(=O)[O-2][Mo+4]%13%14(=O)([O-2]2)[O-2][Mo+4]%15%16(=O)([O-2]3)[O-2][Mo+4]%17%18(=O)([O-2]5)[O-2][Mo+4]%19%20(=O)([O-2]6)[O-2][Mo+4]%21(=O)([O-2]8)([O-2]%10)[O-2][Mo+4]%22%23(=O)([O-2]%19)[O-2][Mo+4]%24(=O)([O-2]%15)([O-2]%17)[O-2][Mo+4](=O)([O-2]%13)([O-2]%11)([O-2]%22)[O-]%14%12P(=O479)([O-]%16%18%24)[O-]%20%21%23 | CAS Common Chemistry |
| InChI | InChI=1S/12Mo.3Na.H3O4P.36O/c;;;;;;;;;;;;;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q12*+4;3*+1;;;;;;;;;;;;;;24*-2/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=AUCIDCXHMMXGHV-UHFFFAOYSA-K | CAS Common Chemistry |
| Name | Sodium phosphomolybdate (Na3PMo12O40) | CAS Common Chemistry |
| Molecular Mass | 1891.1840000000013 g/mol | RDKit |
| 1914.6045526699945 g/mol | RDKit | |
| 1891.184 g/mol | RDKit | |
| 1994.12 g/mol | chempirical lib | |
| Heavy Atom Count | 56 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 1112.25 Ų | RDKit |
| LogP | -16.11940000000001 | RDKit |
| -16.1194 | RDKit | |
| Molar Refractivity | 32.32049999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 1891.18 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 1891.18 g/mol. Edit any field — others recompute live.
