ChemSpider 2D Image | 9-chloro-11?-hydroxy-16?-methyl-3,20-dioxopregna-4,6-diene-17,21-diyl dipropanoate | C28H37ClO7

9-chloro-11?-hydroxy-16?-methyl-3,20-dioxopregna-4,6-diene-17,21-diyl dipropanoate

  • Molecular FormulaC28H37ClO7
  • Average mass521.042 Da
  • Monoisotopic mass520.222778 Da
  • ChemSpider ID32701633

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16β)-9-Chlor-11-hydroxy-16-methyl-3,20-dioxopregna-4,6-dien-17,21-diyl-dipropanoat [German] [ACD/IUPAC Name]
(11β,16β)-9-Chloro-11-hydroxy-16-methyl-3,20-dioxopregna-4,6-diene-17,21-diyl dipropanoate [ACD/IUPAC Name]
9-chloro-11?-hydroxy-16?-methyl-3,20-dioxopregna-4,6-diene-17,21-diyl dipropanoate
Dipropanoate de (11β,16β)-9-chloro-11-hydroxy-16-méthyl-3,20-dioxoprégna-4,6-diène-17,21-diyle [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione, 9-chloro-11-hydroxy-16-methyl-17,21-bis(1-oxopropoxy)-, (11β,16β)- [ACD/Index Name]
9-CHLORO-11β-HYDROXY-16β-METHYL-3,20-DIOXOPREGNA-4,6-DIENE-17,21-DIYL DIPROPANOATE

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

28TB91QZ7K [DBID]
UNII:28TB91QZ7K [DBID]
UNII-28TB91QZ7K [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 641.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.5±6.0 kJ/mol
Flash Point: 342.0±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 544.56
ACD/KOC (pH 5.5): 3162.73
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 544.56
ACD/KOC (pH 7.4): 3162.73
Polar Surface Area: 107 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 410.3±5.0 cm3

Click to predict properties on the Chemicalize site


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