ChemSpider 2D Image | N-(5-Fluoro-2,4-dinitrophenyl)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]alanine | C17H19FN5O11P

N-(5-Fluoro-2,4-dinitrophenyl)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]alanine

  • Molecular FormulaC17H19FN5O11P
  • Average mass519.332 Da
  • Monoisotopic mass519.080261 Da
  • ChemSpider ID155083

More details:

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

Alanine, N-(5-fluoro-2,4-dinitrophenyl)-3-[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]amino]- [ACD/Index Name]
N-(5-Fluor-2,4-dinitrophenyl)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]alanin [German] [ACD/IUPAC Name]
N-(5-Fluoro-2,4-dinitrophenyl)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]alanine [ACD/IUPAC Name]
N-(5-Fluoro-2,4-dinitrophényl)-3-[({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthyl)amino]alanine [French] [ACD/IUPAC Name]
72156-20-8 [RN]
Alanine, N-(5-fluoro-2,4-dinitrophenyl)-3-(((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)amino)-
DL-Alanine, N-(5-fluoro-2,4-dinitrophenyl)-3-(((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methyl)amino)-
Fpd-pdap
α-N-Fluorodinitrophenyl-β-N-phosphopyridoxyldiaminopropionate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 929.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 516.2±37.1 °C
Index of Refraction: 1.682
Molar Refractivity: 113.9±0.3 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.61
ACD/LogD (pH 5.5): -3.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 263 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 92.3±3.0 dyne/cm
Molar Volume: 300.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement