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Sodium L-Lactate
CAS: 867-56-1 | C3H6NaO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
867-56-1
Molecular Formula:
C3H6NaO3
Molecular Weight:
113.06799999999998 g/mol
Names and Synonyms:
Sodium L-Lactate
Purasal S 98
(S)-2-Hydroxypropionic acid sodium salt
Sodium (S)-lactate
Sodium L-lactate
(+)-Sodium lactate
Sodium L-(+)-lactate
(+)-Lactate sodium
Propanoic acid, 2-hydroxy-, sodium salt (1:1), (2S)-
Propanoic acid, 2-hydroxy-, monosodium salt, (2S)-
Propanoic acid, 2-hydroxy-, monosodium salt, (S)-
Lactic acid, monosodium salt, L-
Identifiers:
SMILES:
C[C@H](O)C(=O)O.[Na]
InChI:
InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/t2-;/m0./s1
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
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 113.07 g/mol | Legacy Database |
cas-canonical-smile | [Na].O=C(O)C(O)C None | Legacy Database |
cas-inchi | InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/t2-;/m0./s1 None | Legacy Database |
cas-inchi-key | InChIKey=ZZUUMCMLIPRDPI-DKWTVANSSA-N None | Legacy Database |
cas-name | Sodium L-lactate None | Legacy Database |
LogP | -0.929 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 113.06799999999998 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 113.02146333200001 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 7 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 57.53 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 25.070599999999995 | RDKit |