Chemical Properties of Glycocholic acid (CAS 475-31-0)

InChI

InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m0/s1

InChI Key

RFDAIACWWDREDC-FFFROSDMSA-N

Formula

C26H43NO6

SMILES

CC(CCC(O)=NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

Molecular Weight¹

465.62

CAS

475-31-0

Other Names

• Glycine, N-[(3«alpha»,5«beta»,7«alpha»,12«alpha»)-3,7,12-trihydroxy-24-oxocholan-24-yl]-
• Glycine, N-[(3«alpha»,5«beta»,7«alpha»,12«alpha»)-3,7,12-trihydroxy-24-oxocholan-24-yl]-
• N-(3-«alpha»,7-«alpha»,12-«alpha»-trihydroxycholan-24-oyl)glycine
• N-(3-«alpha»,7-«alpha»,12-«alpha»-trihydroxycholan-24-oyl)glycine

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Glycocholic acid.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.