ChemSpider 2D Image | (1beta,2beta,3alpha,5alpha,6alpha,7beta,16beta,23R)-1,2,3,6,7,23-Hexahydroxy-16,23-cyclocholestan-15-one | C27H44O7

(1β,2β,3α,5α,6α,7β,16β,23R)-1,2,3,6,7,23-Hexahydroxy-16,23-cyclocholestan-15-one

  • Molecular FormulaC27H44O7
  • Average mass480.634 Da
  • Monoisotopic mass480.308716 Da
  • ChemSpider ID31106971
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

(1β,2β,3α,5α,6α,7β,16β,23R)-1,2,3,6,7,23-Hexahydroxy-16,23-cyclocholestan-15-on [German] [ACD/IUPAC Name]
(1β,2β,3α,5α,6α,7β,16β,23R)-1,2,3,6,7,23-Hexahydroxy-16,23-cyclocholestan-15-one [ACD/IUPAC Name]
(1β,2β,3α,5α,6α,7β,16β,23R)-1,2,3,6,7,23-Hexahydroxy-16,23-cyclocholestan-15-one [French] [ACD/IUPAC Name]
16,23-Cyclocholestan-15-one, 1,2,3,6,7,23-hexahydroxy-, (1β,2β,3α,5α,6α,7β,16β,23R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 618.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.2±6.0 kJ/mol
Flash Point: 342.1±28.0 °C
Index of Refraction: 1.587
Molar Refractivity: 126.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.06
ACD/KOC (pH 5.5): 94.88
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.06
ACD/KOC (pH 7.4): 94.88
Polar Surface Area: 138 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 57.1±3.0 dyne/cm
Molar Volume: 376.2±3.0 cm3

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