ChemSpider 2D Image | (8xi,11beta,14xi,16beta)-9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 4-(acetamidomethyl)cyclohexanecarboxylate | C32H44ClNO7

(8ξ,11β,14ξ,16β)-9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 4-(acetamidomethyl)cyclohexanecarboxylate

  • Molecular FormulaC32H44ClNO7
  • Average mass590.147 Da
  • Monoisotopic mass589.280640 Da
  • ChemSpider ID7984350

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

(8ξ,11β,14ξ,16β)-9-Chlor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl-4-(acetamidomethyl)cyclohexancarboxylat [German] [ACD/IUPAC Name]
(8ξ,11β,14ξ,16β)-9-Chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 4-(acetamidomethyl)cyclohexanecarboxylate [ACD/IUPAC Name]
4-(Acétamidométhyl)cyclohexanecarboxylate de (8ξ,11β,14ξ,16β)-9-chloro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[(acetylamino)methyl]-, (8ξ,11β,14ξ,16β)-9-chloro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 776.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.8±6.0 kJ/mol
Flash Point: 423.4±32.9 °C
Index of Refraction: 1.588
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 612.05
ACD/KOC (pH 5.5): 3438.61
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 612.03
ACD/KOC (pH 7.4): 3438.52
Polar Surface Area: 130 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 455.7±5.0 cm3

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