ChemSpider 2D Image | PR-104 | C14H20BrN4O12PS

PR-104

  • Molecular FormulaC14H20BrN4O12PS
  • Average mass579.271 Da
  • Monoisotopic mass577.971924 Da
  • ChemSpider ID9630821

More details:

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

2-[(2-Bromethyl)(2,4-dinitro-6-{[2-(phosphonooxy)ethyl]carbamoyl}phenyl)amino]ethyl-methansulfonat [German] [ACD/IUPAC Name]
2-[(2-Bromoethyl)(2,4-dinitro-6-{[2-(phosphonooxy)ethyl]carbamoyl}phenyl)amino]ethyl methanesulfonate [ACD/IUPAC Name]
851627-62-8 [RN]
Benzamide, 2-[(2-bromoethyl)[2-[(methylsulfonyl)oxy]ethyl]amino]-3,5-dinitro-N-[2-(phosphonooxy)ethyl]- [ACD/Index Name]
Méthanesulfonate de 2-[(2-bromoéthyl)(2,4-dinitro-6-{[2-(phosphonooxy)éthyl]carbamoyl}phényl)amino]éthyle [French] [ACD/IUPAC Name]
PR 104
PR-104 [Wiki]
V16D2ZT7DT
[2-({2-[(2-bromoethyl)[2-(methanesulfonyloxy)ethyl]amino]-3,5-dinitrophenyl}formamido)ethoxy]phosphonic acid [ACD/IUPAC Name]
2-((2-bromoethyl)(2-((methylsulfonyl)oxy)ethyl)amino)-3,5-dinitro-N-(2-(phosphonooxy)ethyl)benzamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 16
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -3.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 81.7±3.0 dyne/cm
Molar Volume: 323.6±3.0 cm3

Click to predict properties on the Chemicalize site


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