ChemSpider 2D Image | (2beta,3beta,5beta,9beta,13alpha,14beta,22R)-2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one | C27H44O8

(2β,3β,5β,9β,13α,14β,22R)-2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one

  • Molecular FormulaC27H44O8
  • Average mass496.634 Da
  • Monoisotopic mass496.303619 Da
  • ChemSpider ID62496186

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2α,3α,5α,10α,13α,14β,17α,22R)-2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2α,3α,5α,10α,13α,14β,17α,22R)-2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2α,3α,5α,10α,13α,14β,17α,22R)-2,3,5,14,20,22,25-Heptahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
(2β,3β,5β,9β,13α,14β,22R)-2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,9β,13α,14β,22R)-2,3,5,14,20,22,25-Heptahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,9β,13α,14β,22R)-2,3,5,14,20,22,25-Heptahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2α,3α,5α,10α,13α,14β,17α,22R)- [ACD/Index Name]
Cholest-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2β,3β,5β,9β,13α,14β,22R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 732.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 122.1±6.0 kJ/mol
Flash Point: 410.8±29.4 °C
Index of Refraction: 1.612
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.86
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.05
ACD/LogD (pH 7.4): 0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.05
Polar Surface Area: 159 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 372.2±5.0 cm3

Click to predict properties on the Chemicalize site


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