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Sodium Α-Glycerophosphate
CAS: 17603-42-8 | C3H9NaO6P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17603-42-8
Molecular Formula:
C3H9NaO6P
Molecular Mass:
195.06 g/mol
Names and Synonyms:
Sodium Α-Glycerophosphate
1,2,3-Propanetriol, 1-(dihydrogen phosphate), sodium salt (1:?)
Glycerol, 1-(dihydrogen phosphate), sodium salt
1,2,3-Propanetriol, 1-(dihydrogen phosphate), sodium salt
Sodium glycerophosphate
Sodium α-glycerophosphate
Sodium 3-phosphoglycerate
Sodium DL-glycerophosphate
Identifiers:
SMILES:
O=P(O)(O)OCC(O)CO.[Na]
InChI:
InChI=1S/C3H9O6P.Na/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 | 195.06 g/mol | CAS Common Chemistry |
| 195.063 g/mol | RDKit | |
| 195.003443918 g/mol | RDKit | |
| Canonical SMILES | [Na].O=P(O)(O)OCC(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C3H9O6P.Na/c4-1-3(5)2-9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8); | CAS Common Chemistry |
| InChI Key | InChIKey=KANLKAYGXGSUJC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium α-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 |
