ChemSpider 2D Image | 2-{[(4-Oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}ethyl dihydrogen phosphate | C9H13N4O5P

2-{[(4-Oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}ethyl dihydrogen phosphate

  • Molecular FormulaC9H13N4O5P
  • Average mass288.197 Da
  • Monoisotopic mass288.062347 Da
  • ChemSpider ID30823792

More details:

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

2-{[(4-Oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}ethyl dihydrogen phosphate [ACD/IUPAC Name]
2-{[(4-Oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}ethyldihydrogenphosphat [German] [ACD/IUPAC Name]
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 3,5-dihydro-7-[[[2-(phosphonooxy)ethyl]amino]methyl]- [ACD/Index Name]
Dihydrogénophosphate de 2-{[(4-oxo-4,5-dihydro-1H-pyrrolo[3,2-d]pyrimidin-7-yl)méthyl]amino}éthyle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.742
Molar Refractivity: 62.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -2.80
ACD/LogD (pH 5.5): -5.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 95.1±7.0 dyne/cm
Molar Volume: 155.5±7.0 cm3

Click to predict properties on the Chemicalize site


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