ChemSpider 2D Image | (22E)-3,5,6-Trihydroxy-14-methyl-1-oxoergost-22-en-11-yl acetate | C31H50O6

(22E)-3,5,6-Trihydroxy-14-methyl-1-oxoergost-22-en-11-yl acetate

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID8090250

  • Double-bond stereo - Double-bond stereo

More details:

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

(22E)-3,5,6-Trihydroxy-14-methyl-1-oxoergost-22-en-11-yl acetate [ACD/IUPAC Name]
(22E)-3,5,6-Trihydroxy-14-methyl-1-oxoergost-22-en-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (22E)-3,5,6-trihydroxy-14-méthyl-1-oxoergost-22-én-11-yle [French] [ACD/IUPAC Name]
Ergost-22-en-1-one, 11-(acetyloxy)-3,5,6-trihydroxy-14-methyl-, (22E)- [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: 595.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 181.2±23.6 °C
Index of Refraction: 1.549
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2321.55
ACD/KOC (pH 5.5): 8929.37
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2321.55
ACD/KOC (pH 7.4): 8929.35
Polar Surface Area: 104 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 452.2±5.0 cm3

Click to predict properties on the Chemicalize site


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