ChemSpider 2D Image | (3alpha,5alpha,16beta,17alpha,22R,23S)-3,16,25-Trihydroxy-23-methyl-17,20-epoxyergostan-22-yl acetate | C31H52O6

(3α,5α,16β,17α,22R,23S)-3,16,25-Trihydroxy-23-methyl-17,20-epoxyergostan-22-yl acetate

  • Molecular FormulaC31H52O6
  • Average mass520.741 Da
  • Monoisotopic mass520.376404 Da
  • ChemSpider ID9838343

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(3α,5α,16β,17α,22R,23S)-3,16,25-Trihydroxy-23-methyl-17,20-epoxyergostan-22-yl acetate [ACD/IUPAC Name]
(3α,5α,16β,17α,22R,23S)-3,16,25-Trihydroxy-23-methyl-17,20-epoxyergostan-22-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,5α,16β,17α,22R,23S)-3,16,25-trihydroxy-23-méthyl-17,20-époxyergostan-22-yle [French] [ACD/IUPAC Name]
Ergostane-3,16,22,25-tetrol, 17,20-epoxy-23-methyl-, 22-acetate, (3α,5α,16β,17α,22R,23S)- [ACD/Index Name]
hippuristerol F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 623.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.8±6.0 kJ/mol
Flash Point: 192.6±20.8 °C
Index of Refraction: 1.551
Molar Refractivity: 143.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2577.45
ACD/KOC (pH 5.5): 9623.33
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2577.45
ACD/KOC (pH 7.4): 9623.33
Polar Surface Area: 100 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 449.6±5.0 cm3

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