ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl valerate | C26H38O6

(8ξ,9ξ,10ξ,13ξ,14ξ)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl valerate

  • Molecular FormulaC26H38O6
  • Average mass446.576 Da
  • Monoisotopic mass446.266846 Da
  • ChemSpider ID23233955

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl pentanoate
(8ξ,9ξ,10ξ,13ξ,14ξ)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl valerate [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-ylvalerat [German] [ACD/IUPAC Name]
Pentanoic acid, (8ξ,9ξ,10ξ,13ξ,14ξ)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester [ACD/Index Name]
Valérate de (8ξ,9ξ,10ξ,13ξ,14ξ)-11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Pentanoic acid 2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 604.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.1±6.0 kJ/mol
Flash Point: 198.5±25.0 °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: 4.11
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.07
ACD/KOC (pH 5.5): 2000.02
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 287.07
ACD/KOC (pH 7.4): 2000.00
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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