ChemSpider 2D Image | 2-Amino-4-oxo-7-(D-ribofuranosyl)-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | C12H13N5O5

2-Amino-4-oxo-7-(D-ribofuranosyl)-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

  • Molecular FormulaC12H13N5O5
  • Average mass307.262 Da
  • Monoisotopic mass307.091675 Da
  • ChemSpider ID24657090

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Amino-4-oxo-7-(D-ribofuranosyl)-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-carbonitril [German] [ACD/IUPAC Name]
2-Amino-4-oxo-7-(D-ribofuranosyl)-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [ACD/IUPAC Name]
2-Amino-4-oxo-7-(D-ribofuranosyl)-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2-amino-4-hydroxy-7-D-ribofuranosyl- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 832.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.8±3.0 kJ/mol
Flash Point: 457.2±37.1 °C
Index of Refraction: 1.886
Molar Refractivity: 68.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -3.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 108.5±7.0 dyne/cm
Molar Volume: 149.7±7.0 cm3

Click to predict properties on the Chemicalize site


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