ChemSpider 2D Image | N-[(2-Amino-4-oxo-4H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4,5-dihydroxy-2-cyclopenten-1-aminium | C12H14N5O3

N-[(2-Amino-4-oxo-4H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4,5-dihydroxy-2-cyclopenten-1-aminium

  • Molecular FormulaC12H14N5O3
  • Average mass276.271 Da
  • Monoisotopic mass276.109131 Da
  • ChemSpider ID24816787

  • Charge - Charge

More details:

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

4H-Pyrrolo[2,3-d]pyrimidin-4-one, 2-amino-5-[[(4,5-dihydroxy-2-cyclopenten-1-yl)amino]methyl]-, conjugate monoacid [ACD/Index Name]
N-[(2-Amino-4-oxo-4H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4,5-dihydroxy-2-cyclopenten-1-aminium [ACD/IUPAC Name]
N-[(2-Amino-4-oxo-4H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4,5-dihydroxy-2-cyclopenten-1-aminium [German] [ACD/IUPAC Name]
N-[(2-Amino-4-oxo-4H-pyrrolo[2,3-d]pyrimidin-5-yl)méthyl]-4,5-dihydroxy-2-cyclopentén-1-aminium [French] [ACD/IUPAC Name]
ZINC03870190

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

Density:
Boiling Point: 541.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 281.4±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.32
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.82
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.83
Polar Surface Area: 137 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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