ChemSpider 2D Image | (3beta)-17-Acetoxy-6-methyl-20-oxopregna-4,6-dien-3-yl 3-cyclopentylpropanoate | C32H46O5

(3β)-17-Acetoxy-6-methyl-20-oxopregna-4,6-dien-3-yl 3-cyclopentylpropanoate

  • Molecular FormulaC32H46O5
  • Average mass510.705 Da
  • Monoisotopic mass510.334534 Da
  • ChemSpider ID112247
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(3β)-17-Acetoxy-6-methyl-20-oxopregna-4,6-dien-3-yl 3-cyclopentylpropanoate [ACD/IUPAC Name]
(3β)-17-Acetoxy-6-methyl-20-oxopregna-4,6-dien-3-yl-3-cyclopentylpropanoat [German] [ACD/IUPAC Name]
3-Cyclopentylpropanoate de (3β)-17-acétoxy-6-méthyl-20-oxoprégna-4,6-dién-3-yle [French] [ACD/IUPAC Name]
Cyclopentanepropanoic acid, (3β)-17-(acetyloxy)-6-methyl-20-oxopregna-4,6-dien-3-yl ester [ACD/Index Name]
72648-88-5 [RN]
79679-45-1 [RN]
Cymegesolate
Pregna-4,6-dien-20-one, 17-(acetyloxy)-3-(3-cyclopentyl-1-oxopropoxy)-6-methyl-, (3-β)-
Progestagen I
Progestin I

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

Density: 1.1±0.1 g/cm3
Boiling Point: 588.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 245.2±30.2 °C
Index of Refraction: 1.548
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.79
ACD/LogD (pH 5.5): 7.16
ACD/BCF (pH 5.5): 162087.03
ACD/KOC (pH 5.5): 186515.22
ACD/LogD (pH 7.4): 7.16
ACD/BCF (pH 7.4): 162087.03
ACD/KOC (pH 7.4): 186515.22
Polar Surface Area: 70 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 450.7±5.0 cm3

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