ChemSpider 2D Image | (11beta,13alpha)-11,21-Dihydroxy-3,20-dioxopregn-4-en-17-yl valerate | C26H38O6

(11β,13α)-11,21-Dihydroxy-3,20-dioxopregn-4-en-17-yl valerate

  • Molecular FormulaC26H38O6
  • Average mass446.576 Da
  • Monoisotopic mass446.266846 Da
  • ChemSpider ID25996804
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(11β,13α)-11,21-Dihydroxy-3,20-dioxopregn-4-en-17-yl valerate [ACD/IUPAC Name]
(11β,13α)-11,21-Dihydroxy-3,20-dioxopregn-4-en-17-ylvalerat [German] [ACD/IUPAC Name]
Pentanoic acid, (11β,13α)-11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl ester [ACD/Index Name]
Valérate de (11β,13α)-11,21-dihydroxy-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
(1S,10S,11S,14R,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl pentanoate
(1S,2R,10S,11S,14R,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl pentanoate
(1S,2R,10S,11S,14R,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl pentanoate
MFCD13196627 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 595.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 195.0±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 119.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.02
ACD/KOC (pH 5.5): 1664.03
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.02
ACD/KOC (pH 7.4): 1664.02
Polar Surface Area: 101 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 367.6±5.0 cm3

Click to predict properties on the Chemicalize site






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