ChemSpider 2D Image | [(3R)-4-(Aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-3-pyridinyl]methyl dihydrogen phosphate | C8H15N2O5P

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

  • Molecular FormulaC8H15N2O5P
  • Average mass250.189 Da
  • Monoisotopic mass250.071854 Da
  • ChemSpider ID61714783

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[(3R)-4-(Aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-3-pyridinyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(3R)-4-(Aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-3-pyridinyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
[(3R,4S)-4-(Aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-3-pyridinyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(3R,4S)-4-(Aminomethyl)-5-hydroxy-6-methyl-3,4-dihydro-3-pyridinyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
3-Pyridinemethanol, 4-(aminomethyl)-3,4-dihydro-5-hydroxy-6-methyl-, α-(dihydrogen phosphate), (3R)- [ACD/Index Name]
3-Pyridinemethanol, 4-(aminomethyl)-3,4-dihydro-5-hydroxy-6-methyl-, α-(dihydrogen phosphate), (3R,4S)- [ACD/Index Name]
Dihydrogénophosphate de [(3R)-4-(aminométhyl)-5-hydroxy-6-méthyl-3,4-dihydro-3-pyridinyl]méthyle [French] [ACD/IUPAC Name]
Dihydrogénophosphate de [(3R,4S)-4-(aminométhyl)-5-hydroxy-6-méthyl-3,4-dihydro-3-pyridinyl]méthyle [French] [ACD/IUPAC Name]
PMP

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

Density: 1.7±0.1 g/cm3
Boiling Point: 496.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 254.2±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 53.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.46
ACD/LogD (pH 5.5): -4.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 76.1±7.0 dyne/cm
Molar Volume: 149.6±7.0 cm3

Click to predict properties on the Chemicalize site


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