ChemSpider 2D Image | (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxycholestan-6-one | C27H46O5

(2α,3α,5α,22R,23R)-2,3,22,23-Tetrahydroxycholestan-6-one

  • Molecular FormulaC27H46O5
  • Average mass450.651 Da
  • Monoisotopic mass450.334534 Da
  • ChemSpider ID57620462

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(2α,3α,5α,22R,23R)-2,3,22,23-Tetrahydroxycholestan-6-on [German] [ACD/IUPAC Name]
(2α,3α,5α,22R,23R)-2,3,22,23-Tetrahydroxycholestan-6-one [ACD/IUPAC Name]
(2α,3α,5α,22R,23R)-2,3,22,23-Tétrahydroxycholestan-6-one [French] [ACD/IUPAC Name]
Cholestan-6-one, 2,3,22,23-tetrahydroxy-, (2α,3α,5α,22R,23R)- [ACD/Index Name]
(1S,2R,4R,5S,7S,10S,11S,14R,15S)-14-[(2S,3R,4R)-3,4-dihydroxy-6-methylheptan-2-yl]-4,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadecan-8-one
28-norcastasterone
6-oxo-cholestan-2α,3α,22R,23R-tetrol
83464-85-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 592.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 326.4±26.6 °C
Index of Refraction: 1.545
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: 3.25
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 75.85
ACD/KOC (pH 5.5): 771.40
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.85
ACD/KOC (pH 7.4): 771.40
Polar Surface Area: 98 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 395.4±3.0 cm3

Click to predict properties on the Chemicalize site


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