ChemSpider 2D Image | 11-Acetoxy-3,14-dihydroxy-20-oxopregn-5-en-12-yl 2-hydroxy-3-methylbutanoate | C28H42O8

11-Acetoxy-3,14-dihydroxy-20-oxopregn-5-en-12-yl 2-hydroxy-3-methylbutanoate

  • Molecular FormulaC28H42O8
  • Average mass506.628 Da
  • Monoisotopic mass506.287964 Da
  • ChemSpider ID468036

More details:

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

11-Acetoxy-3,14-dihydroxy-20-oxopregn-5-en-12-yl 2-hydroxy-3-methylbutanoate [ACD/IUPAC Name]
11-Acetoxy-3,14-dihydroxy-20-oxopregn-5-en-12-yl-2-hydroxy-3-methylbutanoat [German] [ACD/IUPAC Name]
2-Hydroxy-3-méthylbutanoate de 11-acétoxy-3,14-dihydroxy-20-oxoprégn-5-én-12-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-hydroxy-3-methyl-, 11-(acetyloxy)-3,14-dihydroxy-20-oxopregn-5-en-12-yl ester [ACD/Index Name]
11-(Acetyloxy)-3,14-dihydroxy-20-oxopregn-5-en-12-yl 2-hydroxy-3-methylbutanoate-, (3β,11α,12β,14β)-
14β-Pregn-5-en-20-one, 3β,11α,12β,14-tetrahydroxy-, 11-acetate 12-(2-hydroxy-3-methylbutyrate)
Drebyssogenin F
Pregn-5-en-20-one, 11-(acetyloxy)-3,14-dihydroxy-12-(2-hydroxy-3-methyl-1-oxobutoxy)-, (3β,11α,12β,14β)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 621.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 197.8±25.0 °C
Index of Refraction: 1.562
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.90
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.77
ACD/KOC (pH 5.5): 366.03
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.77
ACD/KOC (pH 7.4): 366.03
Polar Surface Area: 130 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 405.5±5.0 cm3

Click to predict properties on the Chemicalize site


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