ChemSpider 2D Image | (2beta,3beta,5beta,10alpha,11alpha,13alpha,22R,24S)-2,3,11,14,20,22,24-Heptahydroxycholest-7-en-6-one | C27H44O8

(2β,3β,5β,10α,11α,13α,22R,24S)-2,3,11,14,20,22,24-Heptahydroxycholest-7-en-6-one

  • Molecular FormulaC27H44O8
  • Average mass496.634 Da
  • Monoisotopic mass496.303619 Da
  • ChemSpider ID114816293

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2β,3β,5β,10α,11α,13α,22R,24S)-2,3,11,14,20,22,24-Heptahydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,10α,11α,13α,22R,24S)-2,3,11,14,20,22,24-Heptahydroxycholest-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,10α,11α,13α,22R,24S)-2,3,11,14,20,22,24-Heptahydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 2,3,11,14,20,22,24-heptahydroxy-, (2β,3β,5β,10α,11α,13α,22R,24S)- [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: 730.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.7±6.0 kJ/mol
Flash Point: 409.5±29.4 °C
Index of Refraction: 1.608
Molar Refractivity: 129.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.92
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.18
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.18
Polar Surface Area: 159 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 373.9±5.0 cm3

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