ChemSpider 2D Image | (6alpha,9beta,10alpha,11beta)-21-Acetoxy-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate | C27H36O7

(6α,9β,10α,11β)-21-Acetoxy-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate

  • Molecular FormulaC27H36O7
  • Average mass472.570 Da
  • Monoisotopic mass472.246094 Da
  • ChemSpider ID115015191

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(6α,9β,10α,11β)-21-Acetoxy-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl propionate [ACD/IUPAC Name]
(6α,9β,10α,11β)-21-Acetoxy-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-ylpropionat [German] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6α,9β,10α,11β)- [ACD/Index Name]
Propionate de (6α,9β,10α,11β)-21-acétoxy-11-hydroxy-6-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [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: 595.8±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: 193.1±23.6 °C
Index of Refraction: 1.560
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 250.74
ACD/KOC (pH 5.5): 1815.40
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.74
ACD/KOC (pH 7.4): 1815.40
Polar Surface Area: 107 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 383.2±5.0 cm3

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