ChemSpider 2D Image | (6alpha,8xi,10xi,13xi,14xi)-6,9-Difluoro-11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl valerate | C26H36F2O6

(6α,8ξ,10ξ,13ξ,14ξ)-6,9-Difluoro-11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl valerate

  • Molecular FormulaC26H36F2O6
  • Average mass482.557 Da
  • Monoisotopic mass482.247986 Da
  • ChemSpider ID23159139

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(6α,8ξ,10ξ,13ξ,14ξ)-6,9-Difluor-11,21-dihydroxy-3,20-dioxopregn-4-en-17-ylvalerat [German] [ACD/IUPAC Name]
(6α,8ξ,10ξ,13ξ,14ξ)-6,9-difluoro-11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl pentanoate
(6α,8ξ,10ξ,13ξ,14ξ)-6,9-Difluoro-11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl valerate [ACD/IUPAC Name]
Pentanoic acid, (6α,8ξ,10ξ,13ξ,14ξ)-6,9-difluoro-11,21-dihydroxy-3,20-dioxopregn-4-en-17-yl ester [ACD/Index Name]
Valérate de (6α,8ξ,10ξ,13ξ,14ξ)-6,9-difluoro-11,21-dihydroxy-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
Pentanoic acid 6,9-difluoro-11-hydroxy-17-(2-hydroxy-acetyl)-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 ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 595.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.9±6.0 kJ/mol
Flash Point: 314.1±30.1 °C
Index of Refraction: 1.544
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.58
ACD/KOC (pH 5.5): 896.58
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.58
ACD/KOC (pH 7.4): 896.57
Polar Surface Area: 101 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 377.8±5.0 cm3

Click to predict properties on the Chemicalize site


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