ChemSpider 2D Image | 5-Amino-1-[(3xi)-5-O-phosphono-beta-D-threo-pentofuranosyl]-1H-imidazole-4-carboxamide | C9H15N4O8P

5-Amino-1-[(3ξ)-5-O-phosphono-β-D-threo-pentofuranosyl]-1H-imidazole-4-carboxamide

  • Molecular FormulaC9H15N4O8P
  • Average mass338.211 Da
  • Monoisotopic mass338.062744 Da
  • ChemSpider ID114394516

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Imidazole-4-carboxamide, 5-amino-1-[(3ξ)-5-O-phosphono-β-D-threo-pentofuranosyl]- [ACD/Index Name]
5-Amino-1-[(3ξ)-5-O-phosphono-β-D-threo-pentofuranosyl]-1H-imidazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-1-[(3ξ)-5-O-phosphono-β-D-threo-pentofuranosyl]-1H-imidazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-1-[(3ξ)-5-O-phosphono-β-D-thréo-pentofuranosyl]-1H-imidazole-4-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point: 845.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.7±3.0 kJ/mol
Flash Point: 465.0±37.1 °C
Index of Refraction: 1.831
Molar Refractivity: 64.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.63
ACD/LogD (pH 5.5): -6.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 140.4±7.0 dyne/cm
Molar Volume: 146.7±7.0 cm3

Click to predict properties on the Chemicalize site


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