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Molecule
Stay-C 50
CAS: 66170-10-3 · C6H9Na3O9P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 66170-10-3
- Molecular Formula
- C6H9Na3O9P
- Molecular Mass
- 325.07 g/mol
Identifiers
CAS Registry Number
66170-10-3
SMILES
O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O.[Na].[Na].[Na]
InChI Key
ABTBLEGNFLLCMG-OFBPEYICSA-N
InChI
InChI=1S/C6H9O9P.3Na/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;/t2-,4+;;;/m0.../s1
Names and Synonyms
- Stay-C 50 Synonym
- Sodium Ascorbyl Phosphate Synonym
- L-Ascorbic acid, 2-(dihydrogen phosphate), sodium salt (1:3) Synonym
- L-Ascorbic acid, 2-(dihydrogen phosphate), trisodium salt Synonym
- Trisodium ascorbate-2-phosphate Synonym
- Ascorbic acid phosphate sodium salt Synonym
- Sodium ascorbyl phosphate Synonym
- VCP-NA Synonym
- 2-Phospha-L-ascorbic acid trisodium salt Synonym
- L-Ascorbic acid 2-phosphate trisodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 325.07 g/mol | CAS Common Chemistry |
| 325.073 g/mol | RDKit | |
| 328.097 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C1OC(C(O)=C1OP(=O)(O)O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H9O9P.3Na/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;/h2,4,7-9H,1H2,(H2,11,12,13);;;/t2-,4+;;;/m0.../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ABTBLEGNFLLCMG-OFBPEYICSA-N | CAS Common Chemistry |
| Name | Sodium ascorbyl phosphate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 153.75 Ų | RDKit |
| 167.34 Ų | chempirical lib | |
| LogP | -2.9984999999999995 | RDKit |
| -2.9985 | RDKit | |
| Molar Refractivity | 63.01850000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 324.9677263380001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 325.07 g/mol. Edit any field — others recompute live.
