ChemSpider 2D Image | 5-Amino-1-[(3xi)-beta-D-threo-pentofuranosyl]-1H-imidazole-4-carboxamide | C9H14N4O5

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

  • Molecular FormulaC9H14N4O5
  • Average mass258.231 Da
  • Monoisotopic mass258.096405 Da
  • ChemSpider ID23975890

  • 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)-β-D-threo-pentofuranosyl]- [ACD/Index Name]
5-Amino-1-[(3ξ)-β-D-threo-pentofuranosyl]-1H-imidazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-1-[(3ξ)-β-D-threo-pentofuranosyl]-1H-imidazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-1-[(3ξ)-β-D-thréo-pentofuranosyl]-1H-imidazole-4-carboxamide [French] [ACD/IUPAC Name]
1H-Imidazole-4-carboxamide, 5-amino-1-b-D-ribofuranosyl-
5-amino-1-((2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-imidazole-4-carboxamide
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
5-amino-1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
5-amino-1-β-D-ribofuranosyl-1H-imidazole-4-carboxamide
5-aminoimidazole-4-carboxamide-1-??-d-ribofuranoside
More...
  • Miscellaneous

    • Safety:

      5 Axon Medchem 2389
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 2389
      no pictogram Axon Medchem 2389
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 2389
      Warning Axon Medchem 2389

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

Density: 2.1±0.1 g/cm3
Boiling Point: 726.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 393.1±32.9 °C
Index of Refraction: 1.821
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -2.93
ACD/LogD (pH 5.5): -2.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 157 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 106.5±7.0 dyne/cm
Molar Volume: 125.2±7.0 cm3

Click to predict properties on the Chemicalize site


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