ChemSpider 2D Image | (1alpha,3beta,11alpha)-3,11-Dihydroxy-18-oxoergosta-5,24(28)-dien-1-yl acetate | C30H46O5

(1α,3β,11α)-3,11-Dihydroxy-18-oxoergosta-5,24(28)-dien-1-yl acetate

  • Molecular FormulaC30H46O5
  • Average mass486.683 Da
  • Monoisotopic mass486.334534 Da
  • ChemSpider ID40256811

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,3β,11α)-3,11-Dihydroxy-18-oxoergosta-5,24(28)-dien-1-yl acetate [ACD/IUPAC Name]
(1α,3β,11α)-3,11-Dihydroxy-18-oxoergosta-5,24(28)-dien-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1α,3β,11α)-3,11-dihydroxy-18-oxoergosta-5,24(28)-dién-1-yle [French] [ACD/IUPAC Name]
Ergosta-5,24(28)-dien-18-al, 1-(acetyloxy)-3,11-dihydroxy-, (1α,3β,11α)- [ACD/Index 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: 586.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.6±6.0 kJ/mol
Flash Point: 182.1±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.37
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2905.42
ACD/KOC (pH 5.5): 10484.80
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2905.42
ACD/KOC (pH 7.4): 10484.80
Polar Surface Area: 84 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 433.2±5.0 cm3

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