ChemSpider 2D Image | (2E)-2-[(E)-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]-2-butenoic acid | C12H15N2O7P

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

  • Molecular FormulaC12H15N2O7P
  • Average mass330.230 Da
  • Monoisotopic mass330.061676 Da
  • ChemSpider ID26325610

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[(E)-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylen)amino]-2-butensäure [German] [ACD/IUPAC Name]
(2E)-2-[(E)-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]-2-butenoic acid [ACD/IUPAC Name]
2-Butenoic acid, 2-[[(1E)-[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]amino]-, (2E)- [ACD/Index Name]
Acide (2E)-2-[(E)-({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthylène)amino]-2-buténoïque [French] [ACD/IUPAC 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: 743.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 403.5±35.7 °C
Index of Refraction: 1.606
Molar Refractivity: 74.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -4.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 65.2±7.0 dyne/cm
Molar Volume: 215.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement