ChemSpider 2D Image | 4-(Hydroxymethyl)-5-[hydroxy(~2~H_2_)methyl]-2-(~2~H_3_)methyl-3-pyridinol | C8H6D5NO3

4-(Hydroxymethyl)-5-[hydroxy(2H2)methyl]-2-(2H3)methyl-3-pyridinol

  • Molecular FormulaC8H6D5NO3
  • Average mass174.209 Da
  • Monoisotopic mass174.105270 Da
  • ChemSpider ID35466677

  • Non-standard isotope - Non-standard isotope

More details:

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

3,4-Pyridinedimethan-α3,α3-d2-ol, 5-hydroxy-6-(methyl-d3)- [ACD/Index Name]
4-(Hydroxymethyl)-5-[hydroxy(2H2)methyl]-2-(2H3)methyl-3-pyridinol [German] [ACD/IUPAC Name]
4-(Hydroxymethyl)-5-[hydroxy(2H2)methyl]-2-(2H3)methyl-3-pyridinol [ACD/IUPAC Name]
4-(Hydroxyméthyl)-5-[hydroxy(2H2)méthyl]-2-(2H3)méthyl-3-pyridinol [French] [ACD/IUPAC Name]
4-(Hydroxymethyl)-5-[hydroxy(2H2)methyl]-2-(2H3)methylpyridin-3-ol
5-[dideuterio(hydroxy)methyl]-4-(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol
688302-31-0 [RN]
Pyridoxine-d5

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 491.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.9±3.0 kJ/mol
    Flash Point: 251.3±27.3 °C
    Index of Refraction: 1.621
    Molar Refractivity: 44.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.10
    ACD/LogD (pH 5.5): -0.74
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.26
    ACD/LogD (pH 7.4): -0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 9.41
    Polar Surface Area: 74 Å2
    Polarizability: 17.4±0.5 10-24cm3
    Surface Tension: 69.7±3.0 dyne/cm
    Molar Volume: 125.0±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement