ChemSpider 2D Image | (3-{[(7-Oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)methyl]amino}propyl)phosphonic acid | C9H14N5O4P

(3-{[(7-Oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)methyl]amino}propyl)phosphonic acid

  • Molecular FormulaC9H14N5O4P
  • Average mass287.212 Da
  • Monoisotopic mass287.078339 Da
  • ChemSpider ID30823597

More details:






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

(3-{[(7-Oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)methyl]amino}propyl)phosphonic acid [ACD/IUPAC Name]
(3-{[(7-Oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)methyl]amino}propyl)phosphonsäure [German] [ACD/IUPAC Name]
Acide (3-{[(7-oxo-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-3-yl)méthyl]amino}propyl)phosphonique [French] [ACD/IUPAC Name]
Phosphonic acid, [3-[[(6,7-dihydro-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-3-yl)methyl]amino]propyl]- [ACD/Index Name]
10.1016/j.bmc.2013.02.016

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.780
Molar Refractivity: 64.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -3.54
ACD/LogD (pH 5.5): -5.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 100.0±7.0 dyne/cm
Molar Volume: 153.7±7.0 cm3

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