ChemSpider 2D Image | [4-Formyl-5-hydroxy-6-(~2~H_3_)methyl-3-pyridinyl](~2~H_2_)methyl dihydrogen phosphate | C8H5D5NO6P

[4-Formyl-5-hydroxy-6-(2H3)methyl-3-pyridinyl](2H2)methyl dihydrogen phosphate

  • Molecular FormulaC8H5D5NO6P
  • Average mass252.173 Da
  • Monoisotopic mass252.055954 Da
  • ChemSpider ID48063235

  • Non-standard isotope - Non-standard isotope

More details:

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

[4-Formyl-5-hydroxy-6-(2H3)methyl-3-pyridinyl](2H2)methyl dihydrogen phosphate [ACD/IUPAC Name]
[4-Formyl-5-hydroxy-6-(2H3)methyl-3-pyridinyl](2H2)methyldihydrogenphosphat [German] [ACD/IUPAC Name]
4-Pyridinecarboxaldehyde, 3-hydroxy-2-(methyl-d3)-5-[(phosphonooxy)methyl-d2]- [ACD/Index Name]
Dihydrogénophosphate de [4-formyl-5-hydroxy-6-(2H3)méthyl-3-pyridinyl](2H2)méthyle [French] [ACD/IUPAC Name]
[dideuterio-[4-formyl-5-hydroxy-6-(trideuteriomethyl)pyridin-3-yl]methyl] dihydrogen phosphate
1246818-16-5 [RN]
Pyridoxal phosphate-d5

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 565.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.4±3.0 kJ/mol
    Flash Point: 296.0±32.9 °C
    Index of Refraction: 1.641
    Molar Refractivity: 54.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.52
    ACD/LogD (pH 5.5): -4.05
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 127 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 87.3±3.0 dyne/cm
    Molar Volume: 150.9±3.0 cm3

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