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Molecule
Sodium L-Lactate
CAS: 867-56-1 · C3H6NaO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 867-56-1
- Molecular Formula
- C3H6NaO3
- Molecular Mass
- 113.07 g/mol
Identifiers
CAS Registry Number
867-56-1
SMILES
C[C@H](O)C(=O)O.[Na]
InChI Key
ZZUUMCMLIPRDPI-DKWTVANSSA-N
InChI
InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/t2-;/m0./s1
Names and Synonyms
- Sodium L-Lactate Common Name
- Lactic acid, monosodium salt, L- Synonym
- Propanoic acid, 2-hydroxy-, monosodium salt, (S)- Synonym
- Propanoic acid, 2-hydroxy-, monosodium salt, (2S)- Synonym
- Propanoic acid, 2-hydroxy-, sodium salt (1:1), (2S)- Synonym
- (+)-Lactate sodium Synonym
- Sodium L-(+)-lactate Synonym
- (+)-Sodium lactate Synonym
- Sodium L-lactate Synonym
- Sodium (S)-lactate Synonym
- (S)-2-Hydroxypropionic acid sodium salt Synonym
- Purasal S 98 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.07 g/mol | CAS Common Chemistry |
| 113.06799999999998 g/mol | RDKit | |
| 113.068 g/mol | RDKit | |
| 114.076 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/t2-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZZUUMCMLIPRDPI-DKWTVANSSA-N | CAS Common Chemistry |
| Name | Sodium L-lactate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.929 | RDKit |
| Molar Refractivity | 25.070599999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 113.02146333200001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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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 = 113.07 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6NaO3.
