ChemSpider 2D Image | (5alpha,16beta,17alpha,22R,23S)-22,26-Diacetoxy-16,25-dihydroxy-23-methyl-3-oxo-17,20-epoxyergostan-21-yl acetate | C35H54O10

(5α,16β,17α,22R,23S)-22,26-Diacetoxy-16,25-dihydroxy-23-methyl-3-oxo-17,20-epoxyergostan-21-yl acetate

  • Molecular FormulaC35H54O10
  • Average mass634.797 Da
  • Monoisotopic mass634.371704 Da
  • ChemSpider ID9874887

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(5α,16β,17α,22R,23S)-22,26-Diacetoxy-16,25-dihydroxy-23-methyl-3-oxo-17,20-epoxyergostan-21-yl acetate [ACD/IUPAC Name]
(5α,16β,17α,22R,23S)-22,26-Diacetoxy-16,25-dihydroxy-23-methyl-3-oxo-17,20-epoxyergostan-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,16β,17α,22R,23S)-22,26-diacétoxy-16,25-dihydroxy-23-méthyl-3-oxo-17,20-époxyergostan-21-yle [French] [ACD/IUPAC Name]
Ergostan-3-one, 21,22,26-tris(acetyloxy)-17,20-epoxy-16,25-dihydroxy-23-methyl-, (5α,16β,17α,22R,23S)- [ACD/Index Name]
ergostan-3-one, 21,22,26-tris(acetyloxy)-17,20-epoxy-16,25-dihydroxy-23-methyl-, (5α,16β,17α,22R,23S,24S)-
hippuristerone J

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

Density: 1.2±0.1 g/cm3
Boiling Point: 708.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 213.4±26.4 °C
Index of Refraction: 1.547
Molar Refractivity: 164.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 548.37
ACD/KOC (pH 5.5): 3178.56
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 548.37
ACD/KOC (pH 7.4): 3178.56
Polar Surface Area: 149 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 518.1±5.0 cm3

Click to predict properties on the Chemicalize site


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