ChemSpider 2D Image | (2beta,3beta,22S)-2,3,14,20,22,25-Hexahydroxycholesta-4,7-dien-6-one | C27H42O7

(2β,3β,22S)-2,3,14,20,22,25-Hexahydroxycholesta-4,7-dien-6-one

  • Molecular FormulaC27H42O7
  • Average mass478.618 Da
  • Monoisotopic mass478.293060 Da
  • ChemSpider ID24716795

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2β,3β,22S)-2,3,14,20,22,25-Hexahydroxycholesta-4,7-dien-6-on [German] [ACD/IUPAC Name]
(2β,3β,22S)-2,3,14,20,22,25-Hexahydroxycholesta-4,7-dien-6-one [ACD/IUPAC Name]
(2β,3β,22S)-2,3,14,20,22,25-Hexahydroxycholesta-4,7-dién-6-one [French] [ACD/IUPAC Name]
Cholesta-4,7-dien-6-one, 2,3,14,20,22,25-hexahydroxy-, (2β,3β,22S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL516599/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 721.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.4±6.0 kJ/mol
Flash Point: 404.2±29.4 °C
Index of Refraction: 1.610
Molar Refractivity: 127.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.06
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.17
ACD/KOC (pH 5.5): 112.74
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 5.17
ACD/KOC (pH 7.4): 112.74
Polar Surface Area: 138 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 367.8±5.0 cm3

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