ChemSpider 2D Image | (2R)-2-Hydroxy-2-(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-4-yl)ethyl dihydrogen phosphate | C9H16N3O5P

(2R)-2-Hydroxy-2-(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-4-yl)ethyl dihydrogen phosphate

  • Molecular FormulaC9H16N3O5P
  • Average mass277.214 Da
  • Monoisotopic mass277.082764 Da
  • ChemSpider ID91748722

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-Hydroxy-2-(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-4-yl)ethyl dihydrogen phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-2-(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-4-yl)ethyldihydrogenphosphat [German] [ACD/IUPAC Name]
1,2-Ethanediol, 1-(4,5,6,7-tetrahydro-1-methyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-, 2-(dihydrogen phosphate), (1R)- [ACD/Index Name]
Dihydrogénophosphate de (2R)-2-hydroxy-2-(1-méthyl-4,5,6,7-tétrahydro-1H-pyrazolo[4,3-c]pyridin-4-yl)éthyle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 565.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 295.8±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 60.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.64
ACD/LogD (pH 5.5): -4.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 84.3±7.0 dyne/cm
Molar Volume: 155.9±7.0 cm3

Click to predict properties on the Chemicalize site


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