Sodium cholate
Properties
- Molecular formula
- C24H39NaO5
- Molar mass
- 430.56 g/mol
- Exact mass
- 430.2695 Da
- logP
- 3.07Crippen estimate
- Polar surface area
- 98.0 Ų
- H-bond donors / acceptors
- 4 / 4
- Rotatable bonds
- 4
- Stereocentres
- R, R, S, R, R, S, R, S, S, S, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
361-09-1SMILES
C[C@H](CCC([O-])=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.[Na+]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Cholan-24-oic acid, 3,7,12-trihydroxy-, sodium salt (1:1), (3α,5β,7α,12α)-
- Cholic acid, monosodium salt
- Cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3α,5β,7α,12α)-
- Sodium cholic acid
- Cholic acid sodium salt
- DS-Na
Work with Sodium cholate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Sodium glycocholate863-57-082 % similar
Sodium deoxycholate302-95-477 % similar
Methyl cholate1448-36-872 % similar
Sodium taurocholate145-42-668 % similar
Glycocholic acid475-31-066 % similar
Sodium glycochenodeoxycholate16564-43-566 % similar
Sodium taurocholate monohydrate345909-26-465 % similar
Sodium hyodeoxycholate10421-49-565 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.