ChemSpider 2D Image | {1-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]-1-phenylethyl}phosphonic acid | C16H20N2O8P2

{1-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]-1-phenylethyl}phosphonic acid

  • Molecular FormulaC16H20N2O8P2
  • Average mass430.286 Da
  • Monoisotopic mass430.069489 Da
  • ChemSpider ID22377095
  • Double-bond stereo - Double-bond stereo


More details:






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

{1-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylen)amino]-1-phenylethyl}phosphonsäure [German] [ACD/IUPAC Name]
{1-[({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methylene)amino]-1-phenylethyl}phosphonic acid [ACD/IUPAC Name]
Acide {1-[({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthylène)amino]-1-phényléthyl}phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [1-[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]amino]-1-phenylethyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 789.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 431.4±35.7 °C
Index of Refraction: 1.637
Molar Refractivity: 98.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -5.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 74.1±7.0 dyne/cm
Molar Volume: 274.4±7.0 cm3

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