Compound Q&A

What are the physical and chemical properties of 2-{[(3alpha,5beta,6alpha)-3,6-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid (CAS: 2958-04-5)?

Answer

2-{[(3alpha,5beta,6alpha)-3,6-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
2-{[(3alpha,5beta,6alpha)-3,6-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid is a crystalline compound with a molecular weight of approximately 536.5 g/mol. It has a low solubility in water but good solubility in polar organic solvents. The compound shows moderate reactivity, particularly in acidic and basic conditions. It is not flammable but should be handled with care due to its biological activity.

About

CAS No 2958-04-5
English Name 2-{[(3alpha,5beta,6alpha)-3,6-Dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
Molecular Formula C26H45NO6S
Molecular Weight 499.71400000000034 g/mol
SMILES CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
InChIKey HMXPOCDLAFAFNT-BHYUGXBJSA-N
Last Updated: 2025-11-07 15:32

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