ChemSpider 2D Image | hippuristerone E | C33H52O7

hippuristerone E

  • Molecular FormulaC33H52O7
  • Average mass560.762 Da
  • Monoisotopic mass560.371277 Da
  • ChemSpider ID9159778

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(5α,22R,23S)-20-Hydroxy-23-methyl-3,16-dioxoergostan-22,25-diyl-diacetat [German] [ACD/IUPAC Name]
(5α,22R,23S)-20-Hydroxy-23-methyl-3,16-dioxoergostane-22,25-diyl diacetate [ACD/IUPAC Name]
Diacétate de (5α,22R,23S)-20-hydroxy-23-méthyl-3,16-dioxoergostane-22,25-diyle [French] [ACD/IUPAC Name]
Ergostane-3,16-dione, 22,25-bis(acetyloxy)-20-hydroxy-23-methyl-, (5α,22R,23S)- [ACD/Index Name]
hippuristerone 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: 643.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.8±6.0 kJ/mol
Flash Point: 194.9±25.0 °C
Index of Refraction: 1.513
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3474.77
ACD/KOC (pH 5.5): 11917.62
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3474.77
ACD/KOC (pH 7.4): 11917.61
Polar Surface Area: 107 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 504.1±3.0 cm3

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