ChemSpider 2D Image | [(2R,3S,4R,5R)-5-[4-carbamoyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)tetrahydrofuran-2-yl]amino]methyleneamino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate | C15H21N5O15P2

[(2R,3S,4R,5R)-5-[4-carbamoyl-5-[(E)-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)tetrahydrofuran-2-yl]amino]methyleneamino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate

  • Molecular FormulaC15H21N5O15P2
  • Average mass573.302 Da
  • Monoisotopic mass573.053101 Da
  • ChemSpider ID26331175

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1-(5-O-phosphonato-β-D-ribofuranosyl)-5-[(5-O-phosphonato-β-D-ribofuranosylamino)methylideneamino]-1H-imidazole-4-carboxamide
1-(5-phospho-D-ribosyl)-5-[(5-phospho-D-ribosylamino)methylideneamino]imidazole-4-carboxamide tetraanion
1-(5-phospho-D-ribosyl)-5-[(5-phospho-D-ribosylamino)methylideneamino]imidazole-4-carboxamide(4-)
1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide
1-(5-phospho-β-D-ribosyl)-5-[(5-phospho-β-D-ribosylamino)methylideneamino]imidazole-4-carboxamide
1-(5-phospho-β-D-ribosyl)-5-[(5-phospho-β-D-ribosylamino)methylideneamino]imidazole-4-carboxamide tetraanion
1-(5-phospho-β-D-ribosyl)-5-[(5-phospho-β-D-ribosylamino)methylideneamino]imidazole-4-carboxamide(4-)
5-(5'-phospho-D-ribosyl-aminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide
5-(5-phospho-D-ribosyl-aminoformimino)-1-(5-phosphoribosyl)-imidazole4-carboxamide
missing
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  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 1-(5-phospho-beta-D-ribosyl)-5-[(5-phospho-beta-D-ribosylamino)methylideneamino]imidazole-4-carboxamide. ChEBI CHEBI:58435

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

Density:
Boiling Point: 1119.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.5±3.0 kJ/mol
Flash Point: 630.7±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -7.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 349 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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