ChemSpider 2D Image | [4-(Hydroxymethyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-4-yl]methyl dihydrogen phosphate | C9H16N3O5P

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

  • Molecular FormulaC9H16N3O5P
  • Average mass277.214 Da
  • Monoisotopic mass277.082764 Da
  • ChemSpider ID81491390

More details:

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

[4-(Hydroxymethyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-4-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[4-(Hydroxymethyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-4-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
4H-Pyrazolo[4,3-c]pyridine-4,4-dimethanol, 2,5,6,7-tetrahydro-2-methyl-, 4-(dihydrogen phosphate) [ACD/Index Name]
Dihydrogénophosphate de [4-(hydroxyméthyl)-2-méthyl-4,5,6,7-tétrahydro-2H-pyrazolo[4,3-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: 1.7±0.1 g/cm3
Boiling Point: 544.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.3±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 61.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.76
ACD/LogD (pH 5.5): -4.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 83.3±7.0 dyne/cm
Molar Volume: 161.3±7.0 cm3

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