ChemSpider 2D Image | (3alpha,5alpha,17alpha,22R,23S)-3,25-Dihydroxy-23-methyl-17,20-epoxyergostan-22-yl acetate | C31H52O5

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

  • Molecular FormulaC31H52O5
  • Average mass504.742 Da
  • Monoisotopic mass504.381470 Da
  • ChemSpider ID9744443

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3α,5α,17α,22R,23S)-3,25-Dihydroxy-23-methyl-17,20-epoxyergostan-22-yl acetate [ACD/IUPAC Name]
(3α,5α,17α,22R,23S)-3,25-Dihydroxy-23-methyl-17,20-epoxyergostan-22-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,5α,17α,22R,23S)-3,25-dihydroxy-23-méthyl-17,20-époxyergostan-22-yle [French] [ACD/IUPAC Name]
Ergostane-3,22,25-triol, 17,20-epoxy-23-methyl-, 22-acetate, (3α,5α,17α,22R,23S)- [ACD/Index Name]
hippuristerol E

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

Density: 1.1±0.1 g/cm3
Boiling Point: 592.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 181.7±18.1 °C
Index of Refraction: 1.541
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 12482.72
ACD/KOC (pH 5.5): 29766.43
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12482.72
ACD/KOC (pH 7.4): 29766.43
Polar Surface Area: 79 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 451.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement