ChemSpider 2D Image | (2beta,3beta,5beta,14xi,17alpha,22R)-2,3,14,20,22-Pentahydroxycholesta-7,9(11)-dien-6-one | C27H42O6

(2β,3β,5β,14ξ,17α,22R)-2,3,14,20,22-Pentahydroxycholesta-7,9(11)-dien-6-one

  • Molecular FormulaC27H42O6
  • Average mass462.619 Da
  • Monoisotopic mass462.298126 Da
  • ChemSpider ID58817683
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(2β,3β,5β,14ξ,17α,22R)-2,3,14,20,22-Pentahydroxycholesta-7,9(11)-dien-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,14ξ,17α,22R)-2,3,14,20,22-Pentahydroxycholesta-7,9(11)-dien-6-one [ACD/IUPAC Name]
(2β,3β,5β,14ξ,17α,22R)-2,3,14,20,22-Pentahydroxycholesta-7,9(11)-dién-6-one [French] [ACD/IUPAC Name]
Cholesta-7,9(11)-dien-6-one, 2,3,14,20,22-pentahydroxy-, (2β,3β,5β,14ξ,17α,22R)- [ACD/Index Name]
83921-17-9 [RN]
DACRYHAINANSTERONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 664.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.8±6.0 kJ/mol
Flash Point: 369.6±28.0 °C
Index of Refraction: 1.595
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: 1.37
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.24
ACD/KOC (pH 5.5): 209.07
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.24
ACD/KOC (pH 7.4): 209.07
Polar Surface Area: 118 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 370.7±5.0 cm3

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