ChemSpider 2D Image | (8alpha,9beta,12beta,16beta)-20-Hydroxy-3-oxocholesta-1,4-diene-12,16-diyl diacetate | C31H46O6

(8α,9β,12β,16β)-20-Hydroxy-3-oxocholesta-1,4-diene-12,16-diyl diacetate

  • Molecular FormulaC31H46O6
  • Average mass514.693 Da
  • Monoisotopic mass514.329468 Da
  • ChemSpider ID17286410

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(8α,9β,12β,16β)-20-Hydroxy-3-oxocholesta-1,4-dien-12,16-diyl-diacetat [German] [ACD/IUPAC Name]
(8α,9β,12β,16β)-20-Hydroxy-3-oxocholesta-1,4-diene-12,16-diyl diacetate [ACD/IUPAC Name]
Cholesta-1,4-dien-3-one, 12,16-bis(acetyloxy)-20-hydroxy-, (8α,9β,12β,16β)- [ACD/Index Name]
Diacétate de (8α,9β,12β,16β)-20-hydroxy-3-oxocholesta-1,4-diène-12,16-diyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 184.2±23.6 °C
Index of Refraction: 1.542
Molar Refractivity: 142.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11162.94
ACD/KOC (pH 5.5): 27478.23
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11162.94
ACD/KOC (pH 7.4): 27478.23
Polar Surface Area: 90 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 452.0±5.0 cm3

Click to predict properties on the Chemicalize site


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