ChemSpider 2D Image | (3beta,5alpha,8alpha,9beta,10alpha,12beta,14beta)-3,7,12,25-Tetrahydroxycholestan-24-one | C27H46O5

(3β,5α,8α,9β,10α,12β,14β)-3,7,12,25-Tetrahydroxycholestan-24-one

  • Molecular FormulaC27H46O5
  • Average mass450.651 Da
  • Monoisotopic mass450.334534 Da
  • ChemSpider ID30778550

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5α,8α,9β,10α,12β,14β)-3,7,12,25-Tetrahydroxycholestan-24-on [German] [ACD/IUPAC Name]
(3β,5α,8α,9β,10α,12β,14β)-3,7,12,25-Tetrahydroxycholestan-24-one [ACD/IUPAC Name]
(3β,5α,8α,9β,10α,12β,14β)-3,7,12,25-Tétrahydroxycholestan-24-one [French] [ACD/IUPAC Name]
Cholestan-24-one, 3,7,12,25-tetrahydroxy-, (3β,5α,8α,9β,10α,12β,14β)- [ACD/Index Name]
(6R)-2-hydroxy-2-methyl-6-[(1R,2R,5S,7R,9S,10S,11R,14R,15R,16R)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]heptan-3-one
3α,7α,12α,25-Tetrahydroxy-5β-cholestane-24-one

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 326.9±26.6 °C
Index of Refraction: 1.547
Molar Refractivity: 125.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.85
ACD/KOC (pH 5.5): 635.46
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.85
ACD/KOC (pH 7.4): 635.46
Polar Surface Area: 98 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 394.4±3.0 cm3

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