ChemSpider 2D Image | 1-(2-Chloroethyl)-3-[(2R,3R)-4-{[(2-chloroethyl)carbamoyl](nitroso)amino}-2,3-dihydroxybutyl]-1-nitrosourea | C10H18Cl2N6O6

1-(2-Chloroethyl)-3-[(2R,3R)-4-{[(2-chloroethyl)carbamoyl](nitroso)amino}-2,3-dihydroxybutyl]-1-nitrosourea

  • Molecular FormulaC10H18Cl2N6O6
  • Average mass389.193 Da
  • Monoisotopic mass388.066498 Da
  • ChemSpider ID23332432

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(2-Chlorethyl)-3-[(2R,3R)-4-{[(2-chlorethyl)carbamoyl](nitroso)amino}-2,3-dihydroxybutyl]-1-nitrosoharnstoff [German] [ACD/IUPAC Name]
1-(2-Chloroethyl)-3-[(2R,3R)-4-{[(2-chloroethyl)carbamoyl](nitroso)amino}-2,3-dihydroxybutyl]-1-nitrosourea [ACD/IUPAC Name]
1-(2-Chloroéthyl)-3-[(2R,3R)-4-{[(2-chloroéthyl)carbamoyl](nitroso)amino}-2,3-dihydroxybutyl]-1-nitrosourée [French] [ACD/IUPAC Name]
1-(2-chloroethyl)-3-[(2R,3R)-4-{[(2-chloroethyl)carbamoyl](nitroso)amino}-2,3-dihydroxybutyl]-1-nitrosourea (non-preferred name)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL488915/

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

GYKI 13324 [DBID]
Gyki-13324 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 83.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 49.69
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 49.46
Polar Surface Area: 164 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 68.2±7.0 dyne/cm
Molar Volume: 236.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement