Sodium glycotaurocholate
Properties
- Molecular formula
- C28H47N2NaO8S
- Molar mass
- 594.74 g/mol
- Exact mass
- 594.2951 Da
- logP
- 2.78Crippen estimate
- Polar surface area
- 180.2 Ų
- H-bond donors / acceptors
- 6 / 7
- Rotatable bonds
- 9
- 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
41945-48-6SMILES
C[C@H](CCC(=O)NCC(=O)NCCS([O-])(=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
3 names
- Ethanesulfonic acid, 2-[[2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]acetyl]amino]-, sodium salt (1:1)
- Ethanesulfonic acid, 2-[[[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]acetyl]amino]-, monosodium salt
- Cholane, ethanesulfonic acid deriv.
Work with Sodium glycotaurocholate
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 taurocholate145-42-695 % similar
Sodium taurocholate monohydrate345909-26-491 % similar
Tauroursodeoxycholic acid sodium salt35807-85-379 % similar
Chenyl taurine sodium6009-98-979 % similar
Sodium taurodeoxycholate1180-95-676 % similar
Sodium glycocholate863-57-075 % similar
Sodium taurodeoxycholate hydrate207737-97-173 % similar
Sodium cholate361-09-165 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.