ChemSpider 2D Image | 7-carboxy-7-deazaguanine | C7H6N4O3

7-carboxy-7-deazaguanine

  • Molecular FormulaC7H6N4O3
  • Average mass194.148 Da
  • Monoisotopic mass194.043991 Da
  • ChemSpider ID26332127

More details:

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

2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-carbonsäure [German] [ACD/IUPAC Name]
2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid [ACD/IUPAC Name]
3H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 2-amino-4,7-dihydro-4-oxo- [ACD/Index Name]
7-carboxy-7-deazaguanine
92636-62-9 [RN]
Acide 2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylique [French] [ACD/IUPAC Name]
124738-76-7 [RN]
1H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBOXYLIC ACID 2-AMINO-4,7-DIHYDRO-4-OXO-
1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylic acid, 2-amino-4,7-dihydro-4-oxo-
More...
  • Miscellaneous

    • Chemical Class:

      A pyrrolopyrimidine that is 7-deazaguanine bearing a carboxylic acid substituent at the 7 position. ChEBI CHEBI:61125

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.930
Molar Refractivity: 43.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -1.19
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 115.7±7.0 dyne/cm
Molar Volume: 91.0±7.0 cm3

Click to predict properties on the Chemicalize site


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