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Magnesium Glycerophosphate
CAS: 927-20-8 | C3H9MgO6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
927-20-8
Molecular Formula:
C3H9MgO6P
Molecular Mass:
196.38 g/mol
Names and Synonyms:
Magnesium Glycerophosphate
1,2,3-Propanetriol, 1-(dihydrogen phosphate), magnesium salt (1:1)
Glycerol, 1-(dihydrogen phosphate), magnesium salt (1:1)
Magnesium glycerophosphate
Magnesium glycerol phosphate (1:1:1)
Identifiers:
SMILES:
O=P(O)(O)OCC(O)CO.[Mg]
InChI:
InChI=1S/C3H9O6P.Mg/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.38 g/mol | CAS Common Chemistry |
| 196.378 g/mol | RDKit | |
| 195.998716338 g/mol | RDKit | |
| Canonical SMILES | [Mg].O=P(O)(O)OCC(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C3H9O6P.Mg/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8); | CAS Common Chemistry |
| InChI Key | InChIKey=JWMUBDROCTYZKE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Magnesium glycerophosphate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 107.22000000000001 Ų | RDKit |
| LogP | -1.9319 | RDKit |
| Molar Refractivity | 36.8427 | RDKit |
