ChemSpider 2D Image | 5-Amino-N-[(1S)-1,2-dicarboxylatoethyl]-1-(5-O-phosphonato-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide | C13H15N4O12P

5-Amino-N-[(1S)-1,2-dicarboxylatoethyl]-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazole-4-carboxamide

  • Molecular FormulaC13H15N4O12P
  • Average mass450.254 Da
  • Monoisotopic mass450.044617 Da
  • ChemSpider ID31150274

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-Amino-N-[(1S)-1,2-dicarboxylatoethyl]-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-N-[(1S)-1,2-dicarboxylatoethyl]-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-N-[(1S)-1,2-dicarboxylatoéthyl]-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazole-4-carboxamide [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[[5-amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl]-, ion(4-) [ACD/Index Name]
(2S)-2-[5-amino-1-(5-O-phosphonato-β-D-ribosyl)imidazole-4-carboxamido]succinate
(2S)-2-[5-amino-1-(5-O-phosphonato-β-D-ribosyl)imidazole-4-carboxamido]succinate; 5-amino-N-[(1S)-1,2-dicarboxylatoethyl]-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazole-4-carboxamide
(2S)-2-[5-amino-1-(5-phospho-β-D-ribosyl)imidazole-4-carboxamido]succinate
SAICAR(4-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion that is the tetraanionic form of SAICAR. It is the major species at pH 7.3. ChEBI CHEBI:58443

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.66
ACD/LogD (pH 5.5): -8.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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