ChemSpider 2D Image | 4-Nitrobenzyl hydrogen {4-[(2,2-dihydroxyvinyl)amino]-4-oxobutyl}phosphonate | C13H17N2O8P

4-Nitrobenzyl hydrogen {4-[(2,2-dihydroxyvinyl)amino]-4-oxobutyl}phosphonate

  • Molecular FormulaC13H17N2O8P
  • Average mass360.256 Da
  • Monoisotopic mass360.072266 Da
  • ChemSpider ID95609898

More details:

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

4-Nitrobenzyl hydrogen {4-[(2,2-dihydroxyvinyl)amino]-4-oxobutyl}phosphonate [ACD/IUPAC Name]
4-Nitrobenzyl-hydrogen{4-[(2,2-dihydroxyvinyl)amino]-4-oxobutyl}phosphonat [German] [ACD/IUPAC Name]
Hydrogéno{4-[(2,2-dihydroxyvinyl)amino]-4-oxobutyl}phosphonate de 4-nitrobenzyle [French] [ACD/IUPAC Name]
Phosphonic acid, P-[4-[(2,2-dihydroxyethenyl)amino]-4-oxobutyl]-, mono[(4-nitrophenyl)methyl] ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 82.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 239.0±3.0 cm3

Click to predict properties on the Chemicalize site


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