ChemSpider 2D Image | [4-(~2~H)Formyl-5-hydroxy-6-methyl-3-pyridinyl](~2~H_2_)methyl dihydrogen phosphate | C8H7D3NO6P

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

  • Molecular FormulaC8H7D3NO6P
  • Average mass250.160 Da
  • Monoisotopic mass250.043396 Da
  • ChemSpider ID58798734

  • Non-standard isotope - Non-standard isotope

More details:

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

[4-(2H)Formyl-5-hydroxy-6-methyl-3-pyridinyl](2H2)methyl dihydrogen phosphate [ACD/IUPAC Name]
[4-(2H)Formyl-5-hydroxy-6-methyl-3-pyridinyl](2H2)methyldihydrogenphosphat [German] [ACD/IUPAC Name]
4-Pyridinecarboxaldehyde-d, 3-hydroxy-2-methyl-5-[(phosphonooxy)methyl-d2]- [ACD/Index Name]
Dihydrogénophosphate de [4-(2H)formyl-5-hydroxy-6-méthyl-3-pyridinyl](2H2)méthyle [French] [ACD/IUPAC Name]
853645-22-4 [RN]
MFCD00006333 [MDL number]

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

Click to predict properties on the Chemicalize site


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