ChemSpider 2D Image | (3beta)-3-Hydroxychol-6-en-24-oic acid | C24H38O3

(3β)-3-Hydroxychol-6-en-24-oic acid

  • Molecular FormulaC24H38O3
  • Average mass374.557 Da
  • Monoisotopic mass374.282104 Da
  • ChemSpider ID23229037

  • defined stereocentres - 1 of 9 defined stereocentres

More details:

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

(3β)-3-Hydroxychol-6-en-24-oic acid [ACD/IUPAC Name]
(3β)-3-Hydroxychol-6-en-24-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-hydroxychol-6-én-24-oïque [French] [ACD/IUPAC Name]
Chol-6-en-24-oic acid, 3-hydroxy-, (3β)- [ACD/Index Name]
4-((S)-3-Hydroxy-10,13-dimethyl-2,3,4,5,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-pentanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 510.8±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 276.8±21.9 °C
Index of Refraction: 1.538
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 739.69
ACD/KOC (pH 5.5): 2310.74
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 11.82
ACD/KOC (pH 7.4): 36.91
Polar Surface Area: 58 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 344.2±3.0 cm3

Click to predict properties on the Chemicalize site


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