ChemSpider 2D Image | (3beta,7beta,20R)-3,7-Dihydroxycholan-24-oic acid | C24H40O4

(3β,7β,20R)-3,7-Dihydroxycholan-24-oic acid

  • Molecular FormulaC24H40O4
  • Average mass392.572 Da
  • Monoisotopic mass392.292664 Da
  • ChemSpider ID25948883

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3β,7β,20R)-3,7-Dihydroxycholan-24-oic acid [ACD/IUPAC Name]
(3β,7β,20R)-3,7-Dihydroxycholan-24-säure [German] [ACD/IUPAC Name]
Acide (3β,7β,20R)-3,7-dihydroxycholan-24-oïque [French] [ACD/IUPAC Name]
Cholan-24-oic acid, 3,7-dihydroxy-, (3β,7β,20R)- [ACD/Index Name]
(4R)-4-((3S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-[(1R,3aS,3bR,4S,7S,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
(4R)-4-[(1R,3aS,3bR,4S,7S,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
(4R)-4-[(1S,2S,5S,9S,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-yl]pentanoic acid
1229519-10-1 [RN]
204-879-3 [EINECS]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 547.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 298.8±19.7 °C
Index of Refraction: 1.543
Molar Refractivity: 109.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 64.54
ACD/KOC (pH 5.5): 403.10
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 6.44
Polar Surface Area: 78 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 347.9±3.0 cm3

Click to predict properties on the Chemicalize site


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