ChemSpider 2D Image | 4-Carbamoyl-1-[(3xi)-beta-D-threo-pentofuranosyl]-1H-imidazol-3-ium-5-olate | C9H13N3O6

4-Carbamoyl-1-[(3ξ)-β-D-threo-pentofuranosyl]-1H-imidazol-3-ium-5-olate

  • Molecular FormulaC9H13N3O6
  • Average mass259.216 Da
  • Monoisotopic mass259.080444 Da
  • ChemSpider ID23975964

  • 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-hydroxy-1-[(3ξ)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
4-Carbamoyl-1-[(3ξ)-β-D-threo-pentofuranosyl]-1H-imidazol-3-ium-5-olat [German] [ACD/IUPAC Name]
4-Carbamoyl-1-[(3ξ)-β-D-threo-pentofuranosyl]-1H-imidazol-3-ium-5-olate [ACD/IUPAC Name]
4-Carbamoyl-1-[(3ξ)-β-D-thréo-pentofuranosyl]-1H-imidazol-3-ium-5-olate [French] [ACD/IUPAC Name]
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
MFCD00057221 [MDL number]

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

Density:
Boiling Point: 755.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 410.9±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.18
ACD/LogD (pH 7.4): -1.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.33
Polar Surface Area: 155 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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