ChemSpider 2D Image | (5alpha,24xi)-20-Hydroxy-3-oxoergostane-22,25-diyl diacetate | C32H52O6

(5α,24ξ)-20-Hydroxy-3-oxoergostane-22,25-diyl diacetate

  • Molecular FormulaC32H52O6
  • Average mass532.752 Da
  • Monoisotopic mass532.376404 Da
  • ChemSpider ID8753582

  • defined stereocentres - 7 of 10 defined stereocentres

More details:

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

(5α,24ξ)-20-Hydroxy-3-oxoergostan-22,25-diyl-diacetat [German] [ACD/IUPAC Name]
(5α,24ξ)-20-Hydroxy-3-oxoergostane-22,25-diyl diacetate [ACD/IUPAC Name]
Diacétate de (5α,24ξ)-20-hydroxy-3-oxoergostane-22,25-diyle [French] [ACD/IUPAC Name]
Ergostan-3-one, 22,25-bis(acetyloxy)-20-hydroxy-, (5α,24ξ)- [ACD/Index Name]
hippuristerone D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 609.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.9±6.0 kJ/mol
Flash Point: 184.4±22.2 °C
Index of Refraction: 1.510
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21251.09
ACD/KOC (pH 5.5): 43563.76
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21251.09
ACD/KOC (pH 7.4): 43563.76
Polar Surface Area: 90 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 490.7±3.0 cm3

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