ChemSpider 2D Image | 17-Hydroxy-3,20-dioxopregn-4-en-21-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate | C33H43Cl2NO5

17-Hydroxy-3,20-dioxopregn-4-en-21-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate

  • Molecular FormulaC33H43Cl2NO5
  • Average mass604.604 Da
  • Monoisotopic mass603.251831 Da
  • ChemSpider ID8049270

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{4-[Bis(2-chloroéthyl)amino]phényl}acétate de 17-hydroxy-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
17-Hydroxy-3,20-dioxopregn-4-en-21-yl {4-[bis(2-chloroethyl)amino]phenyl}acetate [ACD/IUPAC Name]
17-Hydroxy-3,20-dioxopregn-4-en-21-yl-{4-[bis(2-chlorethyl)amino]phenyl}acetat [German] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[bis(2-chloroethyl)amino]-, 17-hydroxy-3,20-dioxopregn-4-en-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: 733.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.2±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 160.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11656.65
ACD/KOC (pH 5.5): 27966.16
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12210.86
ACD/KOC (pH 7.4): 29295.81
Polar Surface Area: 84 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 472.4±5.0 cm3

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