ChemSpider 2D Image | [(3R)-5-Hydroxy-4-(hydroxymethyl)-6-methyl-3,4-dihydro-3-pyridinyl]methyl dihydrogen phosphate | C8H14NO6P

[(3R)-5-Hydroxy-4-(hydroxymethyl)-6-methyl-3,4-dihydro-3-pyridinyl]methyl dihydrogen phosphate

  • Molecular FormulaC8H14NO6P
  • Average mass251.174 Da
  • Monoisotopic mass251.055878 Da
  • ChemSpider ID61714757

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[(3R)-5-Hydroxy-4-(hydroxymethyl)-6-methyl-3,4-dihydro-3-pyridinyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(3R)-5-Hydroxy-4-(hydroxymethyl)-6-methyl-3,4-dihydro-3-pyridinyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
[(3R,4R)-5-Hydroxy-4-(hydroxymethyl)-6-methyl-3,4-dihydro-3-pyridinyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(3R,4R)-5-Hydroxy-4-(hydroxymethyl)-6-methyl-3,4-dihydro-3-pyridinyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
3,4-Pyridinedimethanol, 3,4-dihydro-5-hydroxy-6-methyl-, 3-(dihydrogen phosphate), (3R)- [ACD/Index Name]
3,4-Pyridinedimethanol, 3,4-dihydro-5-hydroxy-6-methyl-, 3-(dihydrogen phosphate), (3R,4R)- [ACD/Index Name]
Dihydrogénophosphate de [(3R)-5-hydroxy-4-(hydroxyméthyl)-6-méthyl-3,4-dihydro-3-pyridinyl]méthyle [French] [ACD/IUPAC Name]
Dihydrogénophosphate de [(3R,4R)-5-hydroxy-4-(hydroxyméthyl)-6-méthyl-3,4-dihydro-3-pyridinyl]méthyle [French] [ACD/IUPAC Name]
PLP
Pyridoxal-5'-phosphate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 522.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.6±6.0 kJ/mol
Flash Point: 269.8±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 52.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -4.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 74.1±7.0 dyne/cm
Molar Volume: 150.1±7.0 cm3

Click to predict properties on the Chemicalize site


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