ChemSpider 2D Image | 3-{[3-Hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-4-ium | C11H16N5O3

3-{[3-Hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-4-ium

  • Molecular FormulaC11H16N5O3
  • Average mass266.276 Da
  • Monoisotopic mass266.124756 Da
  • ChemSpider ID57643340

  • Charge - Charge

More details:

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

3-{[3-Hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-4-ium [German] [ACD/IUPAC Name]
3-{[3-Hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl}-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-4-ium [ACD/IUPAC Name]
3-{[3-Hydroxy-4-(hydroxyméthyl)-1-pyrrolidinyl]méthyl}-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-4-ium [French] [ACD/IUPAC Name]
7H-Pyrazolo[4,3-d]pyrimidin-7-one, 2,6-dihydro-3-[[3-hydroxy-4-(hydroxymethyl)-1-pyrrolidinyl]methyl]-, conjugate monoacid [ACD/Index Name]

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

Density:
Boiling Point: 648.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -3.41
ACD/LogD (pH 5.5): -4.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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