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

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

  • Molecular FormulaC9H16N3O5P
  • Average mass277.214 Da
  • Monoisotopic mass277.082764 Da
  • ChemSpider ID91430136

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-Hydroxy-2-(6-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-7-yl)ethyl dihydrogen phosphate [ACD/IUPAC Name]
(2R)-2-Hydroxy-2-(6-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridin-7-yl)ethyldihydrogenphosphat [German] [ACD/IUPAC Name]
1,2-Ethanediol, 1-(4,5,6,7-tetrahydro-6-methyl-2H-pyrazolo[3,4-c]pyridin-7-yl)-, 2-(dihydrogen phosphate), (1R)- [ACD/Index Name]
Dihydrogénophosphate de (2R)-2-hydroxy-2-(6-méthyl-4,5,6,7-tétrahydro-2H-pyrazolo[3,4-c]pyridin-7-yl)éthyle [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: 580.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 304.8±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -4.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 82.3±3.0 dyne/cm
Molar Volume: 177.5±3.0 cm3

Click to predict properties on the Chemicalize site


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