ChemSpider 2D Image | 3,4-Dihydroxy-2-(hydroxymethyl)-5-(7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrrolidinium | C12H16N3O4

3,4-Dihydroxy-2-(hydroxymethyl)-5-(7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrrolidinium

  • Molecular FormulaC12H16N3O4
  • Average mass266.273 Da
  • Monoisotopic mass266.113525 Da
  • ChemSpider ID21211128

  • Charge - Charge

More details:

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

3,4-Dihydroxy-2-(hydroxymethyl)-5-(7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrrolidinium [ACD/IUPAC Name]
3,4-Dihydroxy-2-(hydroxymethyl)-5-(7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrrolidinium [German] [ACD/IUPAC Name]
3,4-Dihydroxy-2-(hydroxyméthyl)-5-(7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrrolidinium [French] [ACD/IUPAC Name]
Pyrrolidinium, 2-(6,7-dihydro-7-oxo-1H-pyrrolo[2,3-c]pyridin-3-yl)-3,4-dihydroxy-5-(hydroxymethyl)- [ACD/Index Name]

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

Density:
Boiling Point: 749.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 407.1±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.09
ACD/LogD (pH 5.5): -4.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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