ChemSpider 2D Image | (6alpha,11beta,13xi)-21-Acetoxy-11-hydroxy-6-methyl-3,20-dioxopregn-4-en-17-yl butyrate | C28H40O7

(6α,11β,13ξ)-21-Acetoxy-11-hydroxy-6-methyl-3,20-dioxopregn-4-en-17-yl butyrate

  • Molecular FormulaC28H40O7
  • Average mass488.613 Da
  • Monoisotopic mass488.277405 Da
  • ChemSpider ID58817678

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(6α,11β,13ξ)-21-Acetoxy-11-hydroxy-6-methyl-3,20-dioxopregn-4-en-17-yl butyrate [ACD/IUPAC Name]
(6α,11β,13ξ)-21-Acetoxy-11-hydroxy-6-methyl-3,20-dioxopregn-4-en-17-ylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, (6α,11β,13ξ)-21-(acetyloxy)-11-hydroxy-6-methyl-3,20-dioxopregn-4-en-17-yl ester [ACD/Index Name]
Butyrate de (6α,11β,13ξ)-21-acétoxy-11-hydroxy-6-méthyl-3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
83625-35-8 [RN]
Amebucort [INN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 192.7±25.0 °C
Index of Refraction: 1.546
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 779.16
ACD/KOC (pH 5.5): 4087.23
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 779.16
ACD/KOC (pH 7.4): 4087.23
Polar Surface Area: 107 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 406.0±5.0 cm3

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