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Substance Name: Hyocholic acid
RN: 547-75-1
UNII: 2H5H0Q47FL
InChIKey: DKPMWHFRUGMUKF-KWXDGCAGSA-N

Molecular Formula

  • C24-H40-O5

Molecular Weight

  • 408.575
 
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Names and Synonyms

Results Name

  • Hyocholic acid

Name of Substance

  • Hyocholic acid

Synonyms

  • EINECS 208-935-8
  • Hyocholic acid
  • UNII-2H5H0Q47FL

Systematic Names

  • 3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid
  • Cholan-24-oic acid, 3,6,7-trihydroxy-, (3alpha,5beta,6alpha,7alpha)-

Registry Numbers

CAS Registry Number

  • 547-75-1

FDA UNII

  • 2H5H0Q47FL

System Generated Number

  • 0000547751

Structure Descriptors

InChI

1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21-,22+,23-,24-/m1/s1

InChIKey

DKPMWHFRUGMUKF-KWXDGCAGSA-N

Smiles

C1C[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3[C@@H]([C@@H]([C@@H]2C[C@@H]1O)O)O)[C@H](C)CCC(=O)O)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.8 (none)   EXP
Water Solubility 18.4 mg/L 20 EXP
Vapor Pressure 3.65E-15 mm Hg 25 EST
Henry's Law Constant 5.16E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.18E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.