ChemSpider 2D Image | (3alpha,12alpha)-20-Oxopregnane-3,12-diyl diacetate | C25H38O5

(3α,12α)-20-Oxopregnane-3,12-diyl diacetate

  • Molecular FormulaC25H38O5
  • Average mass418.566 Da
  • Monoisotopic mass418.271912 Da
  • ChemSpider ID30649561
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(3α,12α)-20-Oxopregnan-3,12-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,12α)-20-Oxopregnane-3,12-diyl diacetate [ACD/IUPAC Name]
Diacétate de (3α,12α)-20-oxoprégnane-3,12-diyle [French] [ACD/IUPAC Name]
Pregnan-20-one, 3,12-bis(acetyloxy)-, (3α,12α)- [ACD/Index Name]
(3R,8R,9S,10S,12S,13S,14S,17S)-17-acetyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,12-diyl diacetate
15991-93-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 490.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 208.2±27.4 °C
Index of Refraction: 1.523
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1783.49
ACD/KOC (pH 5.5): 7393.63
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1783.49
ACD/KOC (pH 7.4): 7393.63
Polar Surface Area: 70 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 371.2±5.0 cm3

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