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Search term: WSUOQLPWIYUWBI (Found by InChIKey (skeleton match))

ChemSpider 2D Image | [5-Amino-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl dihydrogen phosphate | C8H13N2O5P

[5-Amino-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl dihydrogen phosphate

  • Molecular FormulaC8H13N2O5P
  • Average mass248.173 Da
  • Monoisotopic mass248.056213 Da
  • ChemSpider ID75115105

More details:






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

[5-Amino-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[5-Amino-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
3,4-Pyridinedimethanol, 5-amino-6-methyl-, 3-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénophosphate de [5-amino-4-(hydroxyméthyl)-6-méthyl-3-pyridinyl]méthyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 582.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.8±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 56.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.61
ACD/LogD (pH 5.5): -5.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 88.0±3.0 dyne/cm
Molar Volume: 156.9±3.0 cm3

Click to predict properties on the Chemicalize site






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