ChemSpider 2D Image | {4-[(R)-Amino(~2~H_1_)methyl]-5-hydroxy-6-methyl-3-pyridinyl}methyl dihydrogen phosphate | C8H12DN2O5P

{4-[(R)-Amino(2H1)methyl]-5-hydroxy-6-methyl-3-pyridinyl}methyl dihydrogen phosphate

  • Molecular FormulaC8H12DN2O5P
  • Average mass249.179 Da
  • Monoisotopic mass249.062485 Da
  • ChemSpider ID9921719

  • Non-standard isotope - Non-standard isotope

More details:

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

{4-[(R)-Amino(2H1)methyl]-5-hydroxy-6-methyl-3-pyridinyl}methyl dihydrogen phosphate [ACD/IUPAC Name]
{4-[(R)-Amino(2H1)methyl]-5-hydroxy-6-methyl-3-pyridinyl}methyldihydrogenphosphat [German] [ACD/IUPAC Name]
3-Pyridinemethanol, 4-[(R)-aminomethyl-d]-5-hydroxy-6-methyl-, α-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénophosphate de {4-[(R)-amino(2H1)méthyl]-5-hydroxy-6-méthyl-3-pyridinyl}méthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 607.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.1±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 56.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.89
ACD/LogD (pH 5.5): -4.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 84.0±3.0 dyne/cm
Molar Volume: 159.2±3.0 cm3

Click to predict properties on the Chemicalize site


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