ChemSpider 2D Image | Methyl (3beta,5alpha,16beta)-3-[(methoxycarbonyl)oxy]-4,4-dimethyl-17-oxo-16-(3-oxobutyl)androstane-16-carboxylate | C29H44O7

Methyl (3β,5α,16β)-3-[(methoxycarbonyl)oxy]-4,4-dimethyl-17-oxo-16-(3-oxobutyl)androstane-16-carboxylate

  • Molecular FormulaC29H44O7
  • Average mass504.655 Da
  • Monoisotopic mass504.308716 Da
  • ChemSpider ID24742356

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5α,16β)-3-[(Méthoxycarbonyl)oxy]-4,4-diméthyl-17-oxo-16-(3-oxobutyl)androstane-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Androstane-16-carboxylic acid, 3-[(methoxycarbonyl)oxy]-4,4-dimethyl-17-oxo-16-(3-oxobutyl)-, methyl ester, (3β,5α,16β)- [ACD/Index Name]
Methyl (3β,5α,16β)-3-[(methoxycarbonyl)oxy]-4,4-dimethyl-17-oxo-16-(3-oxobutyl)androstane-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,5α,16β)-3-[(methoxycarbonyl)oxy]-4,4-dimethyl-17-oxo-16-(3-oxobutyl)androstan-16-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 585.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 245.4±30.2 °C
Index of Refraction: 1.523
Molar Refractivity: 133.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3678.01
ACD/KOC (pH 5.5): 12412.53
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3678.01
ACD/KOC (pH 7.4): 12412.53
Polar Surface Area: 96 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 438.0±5.0 cm3

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