ChemSpider 2D Image | (11beta,16alpha)-9,21-Dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl 3-furoate | C27H30Cl2O6

(11β,16α)-9,21-Dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl 3-furoate

  • Molecular FormulaC27H30Cl2O6
  • Average mass521.430 Da
  • Monoisotopic mass520.141968 Da
  • ChemSpider ID9481930

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11β,16α)-9,21-Dichlor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl-3-furoat [German] [ACD/IUPAC Name]
(11β,16α)-9,21-Dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl 3-furoate [ACD/IUPAC Name]
3-Furancarboxylic acid, (11β,16α)-9,21-dichloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
3-Furoate de (11β,16α)-9,21-dichloro-11-hydroxy-16-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: 1.4±0.1 g/cm3
Boiling Point: 645.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.3±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 130.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 668.01
ACD/KOC (pH 5.5): 3660.83
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 668.00
ACD/KOC (pH 7.4): 3660.82
Polar Surface Area: 94 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 379.2±5.0 cm3

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