ChemSpider 2D Image | (3beta,5alpha,6alpha,11alpha,22R)-11,22-Dihydroxycholest-7-ene-3,6-diyl diacetate | C31H50O6

(3β,5α,6α,11α,22R)-11,22-Dihydroxycholest-7-ene-3,6-diyl diacetate

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID8159712

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,5α,6α,11α,22R)-11,22-Dihydroxycholest-7-en-3,6-diyl-diacetat [German] [ACD/IUPAC Name]
(3β,5α,6α,11α,22R)-11,22-Dihydroxycholest-7-ene-3,6-diyl diacetate [ACD/IUPAC Name]
Cholest-7-ene-3,6,11,22-tetrol, 3,6-diacetate, (3β,5α,6α,11α,22R)- [ACD/Index Name]
Diacétate de (3β,5α,6α,11α,22R)-11,22-dihydroxycholest-7-ène-3,6-diyle [French] [ACD/IUPAC Name]
Acetic acid (3S,5S,6S,9R,10S,11R,13R,14R,17R)-3-acetoxy-11-hydroxy-17-((1S,2R)-2-hydroxy-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 596.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.9±6.0 kJ/mol
Flash Point: 181.5±23.6 °C
Index of Refraction: 1.536
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7629.98
ACD/KOC (pH 5.5): 20926.72
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7629.98
ACD/KOC (pH 7.4): 20926.72
Polar Surface Area: 93 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 460.5±5.0 cm3

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