ChemSpider 2D Image | {5-Hydroxy-6-methyl-4-[(E)-{[2-(phosphonooxy)ethyl]imino}methyl]-3-pyridinyl}methyl dihydrogen phosphate | C10H16N2O9P2

{5-Hydroxy-6-methyl-4-[(E)-{[2-(phosphonooxy)ethyl]imino}methyl]-3-pyridinyl}methyl dihydrogen phosphate

  • Molecular FormulaC10H16N2O9P2
  • Average mass370.190 Da
  • Monoisotopic mass370.033112 Da
  • ChemSpider ID25057762

  • Double-bond stereo - Double-bond stereo

More details:

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

{5-Hydroxy-6-methyl-4-[(E)-{[2-(phosphonooxy)ethyl]imino}methyl]-3-pyridinyl}methyl dihydrogen phosphate [ACD/IUPAC Name]
{5-Hydroxy-6-methyl-4-[(E)-{[2-(phosphonooxy)ethyl]imino}methyl]-3-pyridinyl}methyldihydrogenphosphat [German] [ACD/IUPAC Name]
{5-Hydroxy-6-Methyl-4-[(E)-{[2-(Phosphonooxy)ethyl]imino}methyl]pyridin-3-Yl}methyl Dihydrogen Phosphate
3-Pyridinemethanol, 5-hydroxy-6-methyl-4-[(E)-[[2-(phosphonooxy)ethyl]imino]methyl]-, α-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénophosphate de {5-hydroxy-6-méthyl-4-[(E)-{[2-(phosphonooxy)éthyl]imino}méthyl]-3-pyridinyl}méthyle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 780.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 426.0±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 74.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.02
ACD/LogD (pH 5.5): -7.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 199 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 88.8±7.0 dyne/cm
Molar Volume: 208.5±7.0 cm3

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