ChemSpider 2D Image | (3beta,7alpha,13xi)-3,7-Dihydroxycholest-5-en-26-oic acid | C27H44O4

(3β,7α,13ξ)-3,7-Dihydroxycholest-5-en-26-oic acid

  • Molecular FormulaC27H44O4
  • Average mass432.636 Da
  • Monoisotopic mass432.323975 Da
  • ChemSpider ID58816471

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3β,7α,13ξ)-3,7-Dihydroxycholest-5-en-26-oic acid [ACD/IUPAC Name]
(3β,7α,13ξ)-3,7-Dihydroxycholest-5-en-26-säure [German] [ACD/IUPAC Name]
Acide (3β,7α,13ξ)-3,7-dihydroxycholest-5-én-26-oïque [French] [ACD/IUPAC Name]
Cholest-5-en-26-oic acid, 3,7-dihydroxy-, (3β,7α,13ξ)- [ACD/Index Name]
115538-84-6 [RN]
CHOLEST-5-EN-26-OIC ACID 3,7-DIHYDROXY-,(3SS,7A)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 588.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 323.5±22.4 °C
Index of Refraction: 1.555
Molar Refractivity: 123.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 673.21
ACD/KOC (pH 5.5): 2220.81
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 10.87
ACD/KOC (pH 7.4): 35.85
Polar Surface Area: 78 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 383.4±5.0 cm3

Click to predict properties on the Chemicalize site


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