ChemSpider 2D Image | (3R,5S,11S,20R,22S,24S)-24-Methyl-22,25-epoxyfurostan-3,11,20-triol 3-acetate | C30H48O6

(3R,5S,11S,20R,22S,24S)-24-Methyl-22,25-epoxyfurostan-3,11,20-triol 3-acetate

  • Molecular FormulaC30H48O6
  • Average mass504.698 Da
  • Monoisotopic mass504.345093 Da
  • ChemSpider ID8966957

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3R,5S,11S,20R,22S,24S)-24-Methyl-22,25-epoxyfurostan-3,11,20-triol 3-acetate
(3α,5α,11β,22S,24S)-11,20-Dihydroxy-24-methyl-22,25-epoxyfurostan-3-yl acetate [ACD/IUPAC Name]
(3α,5α,11β,22S,24S)-11,20-Dihydroxy-24-methyl-22,25-epoxyfurostan-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,5α,11β,22S,24S)-11,20-dihydroxy-24-méthyl-22,25-époxyfurostan-3-yle [French] [ACD/IUPAC Name]
Furostan-3,11,20-triol, 22,25-epoxy-24-methyl-, 3-acetate, (3α,5α,11β,22β,24S)- [ACD/Index Name]
3-acetyl-22-epi-hippuristanol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 590.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 184.3±23.6 °C
Index of Refraction: 1.560
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2445.09
ACD/KOC (pH 5.5): 9266.98
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2445.09
ACD/KOC (pH 7.4): 9266.98
Polar Surface Area: 85 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 423.5±5.0 cm3

Click to predict properties on the Chemicalize site


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