ChemSpider 2D Image | hyousterone B | C27H42O5

hyousterone B

  • Molecular FormulaC27H42O5
  • Average mass446.619 Da
  • Monoisotopic mass446.303223 Da
  • ChemSpider ID23076758
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(2α,3α,14β)-2,3,14,25-Tetrahydroxycholesta-4,7-dien-6-on [German] [ACD/IUPAC Name]
(2α,3α,14β)-2,3,14,25-Tetrahydroxycholesta-4,7-dien-6-one [ACD/IUPAC Name]
(2α,3α,14β)-2,3,14,25-Tétrahydroxycholesta-4,7-dién-6-one [French] [ACD/IUPAC Name]
Cholesta-4,7-dien-6-one, 2,3,14,25-tetrahydroxy-, (2α,3α,14β)- [ACD/Index Name]
hyousterone B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 616.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.9±6.0 kJ/mol
Flash Point: 340.8±28.0 °C
Index of Refraction: 1.582
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 243.58
ACD/KOC (pH 5.5): 1778.12
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 243.58
ACD/KOC (pH 7.4): 1778.11
Polar Surface Area: 98 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 372.9±5.0 cm3

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