ChemSpider 2D Image | (4-{[(5-Aminopentyl)imino]methyl}-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate | C13H22N3O5P

(4-{[(5-Aminopentyl)imino]methyl}-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate

  • Molecular FormulaC13H22N3O5P
  • Average mass331.305 Da
  • Monoisotopic mass331.129700 Da
  • ChemSpider ID22377927

  • Double-bond stereo - Double-bond stereo

More details:

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

(4-{(E)-[(5-Aminopentyl)imino]methyl}-5-Hydroxy-6-Methylpyridin-3-Yl)methyl Dihydrogen Phosphate
(4-{[(5-Aminopentyl)imino]methyl}-5-hydroxy-6-methyl-3-pyridinyl)methyl dihydrogen phosphate [ACD/IUPAC Name]
(4-{[(5-Aminopentyl)imino]methyl}-5-hydroxy-6-methyl-3-pyridinyl)methyldihydrogenphosphat [German] [ACD/IUPAC Name]
3-Pyridinemethanol, 4-[[(5-aminopentyl)imino]methyl]-5-hydroxy-6-methyl-, α-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénophosphate de (4-{[(5-aminopentyl)imino]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: 1.4±0.1 g/cm3
Boiling Point: 644.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 343.3±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 79.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -3.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 234.8±7.0 cm3

Click to predict properties on the Chemicalize site


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