ChemSpider 2D Image | 4-[Bis(2-chloroethyl)amino]phenyl methyl beta-D-glucopyranosiduronate | C17H23Cl2NO7

4-[Bis(2-chloroethyl)amino]phenyl methyl β-D-glucopyranosiduronate

  • Molecular FormulaC17H23Cl2NO7
  • Average mass424.273 Da
  • Monoisotopic mass423.085144 Da
  • ChemSpider ID57525006

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-[Bis(2-chlorethyl)amino]phenyl-methyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
4-[Bis(2-chloroethyl)amino]phenyl methyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-[bis(2-chloroethyl)amino]phenyl, methyl ester [ACD/Index Name]
38099-66-0 [RN]
4-(N,N-Bis(2-chloroethyl)amino)phenyl-O-β-D-glucopyranosiduronic acid methyl ester

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

Density: 1.5±0.1 g/cm3
Boiling Point: 601.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -0.39
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.80
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.79
Polar Surface Area: 109 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 289.3±3.0 cm3

Click to predict properties on the Chemicalize site


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