ChemSpider 2D Image | [5-Hydroxy-4-(hydroxymethyl)-6-(~2~H_3_)methyl-3-pyridinyl]methyl dihydrogen phosphate | C8H9D3NO6P

[5-Hydroxy-4-(hydroxymethyl)-6-(2H3)methyl-3-pyridinyl]methyl dihydrogen phosphate

  • Molecular FormulaC8H9D3NO6P
  • Average mass252.176 Da
  • Monoisotopic mass252.059052 Da
  • ChemSpider ID58794430

  • Non-standard isotope - Non-standard isotope

More details:

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

[5-Hydroxy-4-(hydroxymethyl)-6-(2H3)methyl-3-pyridinyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[5-Hydroxy-4-(hydroxymethyl)-6-(2H3)methyl-3-pyridinyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
3,4-Pyridinedimethanol, 5-hydroxy-6-(methyl-d3)-, 3-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénophosphate de [5-hydroxy-4-(hydroxyméthyl)-6-(2H3)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: 638.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 340.0±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 54.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.95
ACD/LogD (pH 5.5): -4.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 88.8±3.0 dyne/cm
Molar Volume: 153.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement