ChemSpider 2D Image | (2alpha,3alpha,5alpha,11beta,22S,24S)-11-Hydroxy-24-methyl-18-oxo-18,20:22,25-diepoxyfurostan-2,3-diyl diacetate | C32H46O9

(2α,3α,5α,11β,22S,24S)-11-Hydroxy-24-methyl-18-oxo-18,20:22,25-diepoxyfurostan-2,3-diyl diacetate

  • Molecular FormulaC32H46O9
  • Average mass574.702 Da
  • Monoisotopic mass574.314209 Da
  • ChemSpider ID9596680

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(2α,3α,5α,11β,22S,24S)-11-Hydroxy-24-methyl-18-oxo-18,20:22,25-diepoxyfurostan-2,3-diyl diacetate [ACD/IUPAC Name]
(2α,3α,5α,11β,22S,24S)-11-Hydroxy-24-methyl-18-oxo-18,20:22,25-diepoxyfurostan-2,3-diyl-diacetat [German] [ACD/IUPAC Name]
Diacétate de (2α,3α,5α,11β,22S,24S)-11-hydroxy-24-méthyl-18-oxo-18,20:22,25-diépoxyfurostan-2,3-diyle [French] [ACD/IUPAC Name]
Furostan-18-one, 2,3-bis(acetyloxy)-18,20:22,25-diepoxy-11-hydroxy-24-methyl-, (2α,3α,5α,11β,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: 668.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 209.5±25.0 °C
Index of Refraction: 1.571
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 117.07
ACD/KOC (pH 5.5): 1052.47
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 117.07
ACD/KOC (pH 7.4): 1052.47
Polar Surface Area: 118 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 445.6±5.0 cm3

Click to predict properties on the Chemicalize site


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