ChemSpider 2D Image | (2alpha,3alpha,5alpha,9beta,10alpha,13alpha,14beta,17alpha,20S,22R)-2,3,14,20-Tetrahydroxy-22,25-epoxycholest-7-en-6-one | C27H42O6

(2α,3α,5α,9β,10α,13α,14β,17α,20S,22R)-2,3,14,20-Tetrahydroxy-22,25-epoxycholest-7-en-6-one

  • Molecular FormulaC27H42O6
  • Average mass462.619 Da
  • Monoisotopic mass462.298126 Da
  • ChemSpider ID82965716

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,3α,5α,9β,10α,13α,14β,17α,20S,22R)-2,3,14,20-Tetrahydroxy-22,25-epoxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2α,3α,5α,9β,10α,13α,14β,17α,20S,22R)-2,3,14,20-Tetrahydroxy-22,25-epoxycholest-7-en-6-one [ACD/IUPAC Name]
(2α,3α,5α,9β,10α,13α,14β,17α,20S,22R)-2,3,14,20-Tétrahydroxy-22,25-époxycholest-7-én-6-one [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 22,25-epoxy-2,3,14,20-tetrahydroxy-, (2α,3α,5α,9β,10α,13α,14β,17α,20S,22R)- [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: 618.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.1±6.0 kJ/mol
Flash Point: 201.9±25.0 °C
Index of Refraction: 1.592
Molar Refractivity: 124.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.84
ACD/KOC (pH 5.5): 273.72
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.84
ACD/KOC (pH 7.4): 273.72
Polar Surface Area: 107 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 367.9±5.0 cm3

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