ChemSpider 2D Image | (3beta,5beta,14beta,17alpha)-3,19-Diacetoxy-5,14-dihydroxy-20-oxopregnan-21-yl acrylate | C28H40O9

(3β,5β,14β,17α)-3,19-Diacetoxy-5,14-dihydroxy-20-oxopregnan-21-yl acrylate

  • Molecular FormulaC28H40O9
  • Average mass520.612 Da
  • Monoisotopic mass520.267212 Da
  • ChemSpider ID2313299

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5β,14β,17α)-3,19-Diacetoxy-5,14-dihydroxy-20-oxopregnan-21-yl acrylate [ACD/IUPAC Name]
(3β,5β,14β,17α)-3,19-Diacetoxy-5,14-dihydroxy-20-oxopregnan-21-yl-acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, (3β,5β,14β,17α)-3,19-bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl ester [ACD/Index Name]
Acrylate de (3β,5β,14β,17α)-3,19-diacétoxy-5,14-dihydroxy-20-oxoprégnan-21-yle [French] [ACD/IUPAC Name]
14-β,17-α-Pregnan-20-one, 3-β,5-β,14,19,21-pentahydroxy-, 21-acrylate, 3,19-diacetate
67463-05-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 607.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.5±6.0 kJ/mol
Flash Point: 191.9±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.91
ACD/KOC (pH 5.5): 546.88
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.91
ACD/KOC (pH 7.4): 546.88
Polar Surface Area: 136 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 411.0±5.0 cm3

Click to predict properties on the Chemicalize site


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