ChemSpider 2D Image | 4-Amino-7-[(2xi)-beta-D-threo-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide | C12H15N5O5

4-Amino-7-[(2ξ)-β-D-threo-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

  • Molecular FormulaC12H15N5O5
  • Average mass309.278 Da
  • Monoisotopic mass309.107330 Da
  • ChemSpider ID98612172

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

4-Amino-7-[(2ξ)-β-D-threo-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-5-carboxamid [German] [ACD/IUPAC Name]
4-Amino-7-[(2ξ)-β-D-threo-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide [ACD/IUPAC Name]
4-Amino-7-[(2ξ)-β-D-thréo-pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-[(2ξ)-β-D-threo-pentofuranosyl]- [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: 810.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.5±3.0 kJ/mol
Flash Point: 443.9±34.3 °C
Index of Refraction: 1.886
Molar Refractivity: 68.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -1.60
ACD/LogD (pH 5.5): -1.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.66
Polar Surface Area: 170 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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