ChemSpider 2D Image | (2E)-2-{[(Z)-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid | C11H15N2O7P

(2E)-2-{[(Z)-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid

  • Molecular FormulaC11H15N2O7P
  • Average mass318.220 Da
  • Monoisotopic mass318.061676 Da
  • ChemSpider ID25057646

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{[(Z)-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinyliden}methyl]imino}propansäure [German] [ACD/IUPAC Name]
(2E)-2-{[(Z)-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid [ACD/IUPAC Name]
(2e)-2-{[(Z)-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4(1h)-Ylidene}methyl]imino}propanoic Acid
Acide (2E)-2-{[(Z)-{3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4(1H)-pyridinylidène}méthyl]imino}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[(Z)-[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene]methyl]imino]-, (2E)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 512.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 85.7±6.0 kJ/mol
Flash Point: 263.5±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 69.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.72
ACD/LogD (pH 5.5): -5.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 68.6±7.0 dyne/cm
Molar Volume: 199.6±7.0 cm3

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