ChemSpider 2D Image | Decyl (11beta,17alpha)-11,17-dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxylate | C31H48O5

Decyl (11β,17α)-11,17-dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxylate

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID143011
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(11β,17α)-11,17-Dihydroxy-17-méthyl-3-oxoandrosta-1,4-diène-2-carboxylate de décyle [French] [ACD/IUPAC Name]
Androsta-1,4-diene-2-carboxylic acid, 11,17-dihydroxy-17-methyl-3-oxo-, decyl ester, (11β,17α)- [ACD/Index Name]
Decyl (11β,17α)-11,17-dihydroxy-17-methyl-3-oxoandrosta-1,4-diene-2-carboxylate [ACD/IUPAC Name]
Decyl-(11β,17α)-11,17-dihydroxy-17-methyl-3-oxoandrosta-1,4-dien-2-carboxylat [German] [ACD/IUPAC Name]
11,17-Dihydroxy-17-methyl-3-oxo-androsta-1,4-diene-2-carboxylic acid, decyl ester
60023-91-8 [RN]
Androsta-1,4-diene-2-carboxylic acid, 11,17-dihydroxy-17-methyl-3-oxo-, decyl ester, (11β,17β)-
Decylroxibolone

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

BR 917 [DBID]
BR-917 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 628.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.6±6.0 kJ/mol
Flash Point: 196.1±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 283436.97
ACD/KOC (pH 5.5): 278254.56
ACD/LogD (pH 7.4): 7.48
ACD/BCF (pH 7.4): 283436.97
ACD/KOC (pH 7.4): 278254.56
Polar Surface Area: 84 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 444.5±5.0 cm3

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