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Molecule
Magnesium Ascorbyl Phosphate
CAS: 108910-78-7 · C6H9MgO9P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 108910-78-7
- Molecular Formula
- C6H9MgO9P
- Molecular Mass
- 280.41 g/mol
Identifiers
CAS Registry Number
108910-78-7
SMILES
O=C1O[C@H]([C@@H](O)CO)C(O)=C1OP(=O)(O)O.[Mg]
InChI Key
XYWDYAVMJYSSSG-LEJBHHMKSA-N
InChI
InChI=1S/C6H9O9P.Mg/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
- Magnesium Ascorbyl Phosphate Synonym
- L-Ascorbic acid, 2-(dihydrogen phosphate), magnesium salt (2:3) Synonym
- Phospitan C Synonym
- Ascorbyl PM Synonym
- Magnesium ascorbyl phosphate Synonym
- Ascorbic acid phosphate magnesium salt Synonym
- Magnesium ascorbate phosphate Synonym
- Magnesium L-ascorbate phosphate Synonym
- C-Mate Synonym
- Magnesium L-ascorbyl phosphate Synonym
- Ascorbic acid 2-phosphate sesquimagnesium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 280.41 g/mol | CAS Common Chemistry |
| 280.40799999999996 g/mol | RDKit | |
| 280.408 g/mol | RDKit | |
| 282.424 g/mol | chempirical lib | |
| Canonical SMILES | [Mg].O=C1OC(C(O)=C1OP(=O)(O)O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H9O9P.Mg/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=XYWDYAVMJYSSSG-LEJBHHMKSA-N | CAS Common Chemistry |
| Name | Magnesium ascorbyl phosphate | CAS Common Chemistry |
| Heavy Atom Count | 17 | 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 | -2.2368999999999994 | RDKit |
| -2.2369 | RDKit | |
| Molar Refractivity | 51.51050000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 279.98346019800005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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MW = 280.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H9MgO9P.
