ChemSpider 2D Image | hyousterone C | C27H42O6

hyousterone C

  • Molecular FormulaC27H42O6
  • Average mass462.619 Da
  • Monoisotopic mass462.298126 Da
  • ChemSpider ID23076759
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(2α,3α)-2,3,9,14,25-Pentahydroxycholesta-4,7-dien-6-on [German] [ACD/IUPAC Name]
(2α,3α)-2,3,9,14,25-Pentahydroxycholesta-4,7-dien-6-one [ACD/IUPAC Name]
(2α,3α)-2,3,9,14,25-Pentahydroxycholesta-4,7-dién-6-one [French] [ACD/IUPAC Name]
Cholesta-4,7-dien-6-one, 2,3,9,14,25-pentahydroxy-, (2α,3α)- [ACD/Index Name]
hyousterone C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 650.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±6.0 kJ/mol
Flash Point: 361.4±28.0 °C
Index of Refraction: 1.597
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.17
ACD/KOC (pH 5.5): 707.11
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.17
ACD/KOC (pH 7.4): 707.10
Polar Surface Area: 118 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

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