ChemSpider 2D Image | (5beta,10alpha,13alpha)-2,3,14,20,25-Pentahydroxycholest-7-ene-6,22-dione | C27H42O7

(5β,10α,13α)-2,3,14,20,25-Pentahydroxycholest-7-ene-6,22-dione

  • Molecular FormulaC27H42O7
  • Average mass478.618 Da
  • Monoisotopic mass478.293060 Da
  • ChemSpider ID74045679

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5β,10α,13α)-2,3,14,20,25-Pentahydroxycholest-7-en-6,22-dion [German] [ACD/IUPAC Name]
(5β,10α,13α)-2,3,14,20,25-Pentahydroxycholest-7-ene-6,22-dione [ACD/IUPAC Name]
(5β,10α,13α)-2,3,14,20,25-Pentahydroxycholest-7-ène-6,22-dione [French] [ACD/IUPAC Name]
Cholest-7-ene-6,22-dione, 2,3,14,20,25-pentahydroxy-, (5β,10α,13α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 670.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.7±6.0 kJ/mol
Flash Point: 373.1±28.0 °C
Index of Refraction: 1.591
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.48
ACD/KOC (pH 5.5): 117.56
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.48
ACD/KOC (pH 7.4): 117.56
Polar Surface Area: 135 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 60.7±5.0 dyne/cm
Molar Volume: 374.1±5.0 cm3

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