ChemSpider 2D Image | 4-[(E)-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]butanoic acid | C12H17N2O7P

4-[(E)-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]butanoic acid

  • Molecular FormulaC12H17N2O7P
  • Average mass332.246 Da
  • Monoisotopic mass332.077332 Da
  • ChemSpider ID62980451

More details:

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

4-[(E)-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylen)amino]butansäure [German] [ACD/IUPAC Name]
4-[(E)-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]butanoic acid [ACD/IUPAC Name]
Acide 4-[(E)-({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthylène)amino]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(1E)-[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]amino]- [ACD/Index Name]
63221-68-1 [RN]
pyridoxal phosphate γ-aminobutyric acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 723.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.5±35.7 °C
Index of Refraction: 1.605
Molar Refractivity: 74.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): -4.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 216.5±7.0 cm3

Click to predict properties on the Chemicalize site


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