Sodium glycocholate
Properties
- Molecular formula
- C26H42NNaO6
- Molar mass
- 487.61 g/mol
- Exact mass
- 487.2910 Da
- Melting point
- 230–240 °C
- logP
- 3.02Crippen estimate
- Polar surface area
- 130.6 Ų
- H-bond donors / acceptors
- 5 / 5
- Rotatable bonds
- 6
- 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
863-57-0SMILES
C[C@H](CCC(=O)NCC([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
8 names
- Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt (1:1)
- Glycine, N-choloyl-, monosodium salt
- Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, monosodium salt
- Cholane, glycine deriv.
- Glycocholic acid sodium salt
- Monosodium glycocholate
- Sodium cholylglycinate
- NSC 35609
Work with Sodium glycocholate
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 glycochenodeoxycholate16564-43-582 % similar
Sodium cholate361-09-182 % similar
Sodium glycodeoxycholate16409-34-079 % similar
Tauroglycocholic acid, sodium salt11006-55-675 % similar
Sodium glycotaurocholate41945-48-675 % similar
Sodium taurocholate145-42-674 % similar
Sodium taurocholate monohydrate345909-26-471 % similar
Cholic acid81-25-466 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.