ChemSpider 2D Image | 2-[(Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-P-{4-[(trifluoroacetyl)amino]benzyl}phosphonamidate | C28H36Cl2F3N6O8P

2-[(Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-P-{4-[(trifluoroacetyl)amino]benzyl}phosphonamidate

  • Molecular FormulaC28H36Cl2F3N6O8P
  • Average mass743.496 Da
  • Monoisotopic mass742.166138 Da
  • ChemSpider ID3818378

More details:

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

2-[(Dichloracetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-P-{4-[(trifluoracetyl)amino]benzyl}phosphonamidat [German] [ACD/IUPAC Name]
2-[(Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-P-{4-[(trifluoroacetyl)amino]benzyl}phosphonamidate [ACD/IUPAC Name]
N-[3-(Diméthylamino)propyl]-N-(éthylcarbamoyl)-P-{4-[(2,2,2-trifluoroacétyl)amino]benzyl}phosphonamidate de 2-[(2,2-dichloroacétyl)amino]-3-hydroxy-1-(4-nitrophényl)propyle [French] [ACD/IUPAC Name]
Phosphonamidic acid, N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-P-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]-, 2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 171.6±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.26
Polar Surface Area: 196 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 521.0±3.0 cm3

Click to predict properties on the Chemicalize site


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