ChemSpider 2D Image | [4-(Hydroxymethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridin-4-yl]methyl dihydrogen phosphate | C7H13N4O5P

[4-(Hydroxymethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridin-4-yl]methyl dihydrogen phosphate

  • Molecular FormulaC7H13N4O5P
  • Average mass264.176 Da
  • Monoisotopic mass264.062347 Da
  • ChemSpider ID84281016

More details:

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

[4-(Hydroxymethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridin-4-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[4-(Hydroxymethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridin-4-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
4H-1,2,3-Triazolo[4,5-c]pyridine-4,4-dimethanol, 1,5,6,7-tetrahydro-, 4-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénophosphate de [4-(hydroxyméthyl)-4,5,6,7-tétrahydro-1H-[1,2,3]triazolo[4,5-c]pyridin-4-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 615.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.0±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -2.70
ACD/LogD (pH 5.5): -5.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 100.9±3.0 dyne/cm
Molar Volume: 160.7±3.0 cm3

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