ChemSpider 2D Image | (1beta,3beta,5alpha,11beta)-1,3,5,11-Tetrahydroxycholestan-6-one | C27H46O5

(1β,3β,5α,11β)-1,3,5,11-Tetrahydroxycholestan-6-one

  • Molecular FormulaC27H46O5
  • Average mass450.651 Da
  • Monoisotopic mass450.334534 Da
  • ChemSpider ID44210992

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1β,3β,5α,11β)-1,3,5,11-Tetrahydroxycholestan-6-on [German] [ACD/IUPAC Name]
(1β,3β,5α,11β)-1,3,5,11-Tetrahydroxycholestan-6-one [ACD/IUPAC Name]
(1β,3β,5α,11β)-1,3,5,11-Tétrahydroxycholestan-6-one [French] [ACD/IUPAC Name]
Cholestan-6-one, 1,3,5,11-tetrahydroxy-, (1β,3β,5α,11β)- [ACD/Index Name]
1β,3β,5α,11β-tetrahydroxycholestan-6-one
Menellsteroid E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 594.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 327.6±26.6 °C
Index of Refraction: 1.558
Molar Refractivity: 125.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 337.84
ACD/KOC (pH 5.5): 2247.29
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 337.84
ACD/KOC (pH 7.4): 2247.24
Polar Surface Area: 98 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 388.4±3.0 cm3

Click to predict properties on the Chemicalize site


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