ChemSpider 2D Image | (2E)-2-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid | C17H20N3O8P

(2E)-2-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid

  • Molecular FormulaC17H20N3O8P
  • Average mass425.330 Da
  • Monoisotopic mass425.098816 Da
  • ChemSpider ID35033592

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid [ACD/IUPAC Name]
(2E)-2-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propansäure [German] [ACD/IUPAC Name]
(2e)-2-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methyl)imino]-3-[(2-Hydroxyphenyl)amino]propanoic Acid
Acide (2E)-2-[({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthyl)imino]-3-[(2-hydroxyphényl)amino]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]imino]-3-[(2-hydroxyphenyl)amino]-, (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: 827.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 454.4±37.1 °C
Index of Refraction: 1.653
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -4.44
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: 192 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 70.8±7.0 dyne/cm
Molar Volume: 270.3±7.0 cm3

Click to predict properties on the Chemicalize site


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