ChemSpider 2D Image | (3alpha,5alpha,11beta,18R,22S,24S)-11,18-Dihydroxy-24-methyl-18,20:22,25-diepoxyfurostan-3-yl acetate | C30H46O7

(3α,5α,11β,18R,22S,24S)-11,18-Dihydroxy-24-methyl-18,20:22,25-diepoxyfurostan-3-yl acetate

  • Molecular FormulaC30H46O7
  • Average mass518.682 Da
  • Monoisotopic mass518.324341 Da
  • ChemSpider ID9355000

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3α,5α,11β,18R,22S,24S)-11,18-Dihydroxy-24-methyl-18,20:22,25-diepoxyfurostan-3-yl acetate [ACD/IUPAC Name]
(3α,5α,11β,18R,22S,24S)-11,18-Dihydroxy-24-methyl-18,20:22,25-diepoxyfurostan-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,5α,11β,18R,22S,24S)-11,18-dihydroxy-24-méthyl-18,20:22,25-diépoxyfurostan-3-yle [French] [ACD/IUPAC Name]
Furostan-3,11,18-triol, 18,20:22,25-diepoxy-24-methyl-, 3-acetate, (3α,5α,11β,18R,22α,24S)- [ACD/Index Name]
mollisoside B2

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.3±6.0 kJ/mol
Flash Point: 193.9±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 391.65
ACD/KOC (pH 5.5): 2498.06
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 391.65
ACD/KOC (pH 7.4): 2498.05
Polar Surface Area: 94 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 411.2±5.0 cm3

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