ChemSpider 2D Image | 1-(5-phospho-beta-D-ribosyl)-5-[(5-phospho-beta-D-ribosylamino)methylideneamino]imidazole-4-carboxamide | C15H25N5O15P2

1-(5-phospho-β-D-ribosyl)-5-[(5-phospho-β-D-ribosylamino)methylideneamino]imidazole-4-carboxamide

  • Molecular FormulaC15H25N5O15P2
  • Average mass577.331 Da
  • Monoisotopic mass577.082214 Da
  • ChemSpider ID7827522
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

1-(5-phospho-β-D-ribosyl)-5-[(5-phospho-β-D-ribosylamino)methylideneamino]imidazole-4-carboxamide
[(2r,3s,4r,5r)-5-[4-Aminocarbonyl-5-[(E)-[[(2r,3r,4s,5r)-3,4-Bis(Oxidanyl)-5-(Phosphonooxymethyl)oxolan-2-Yl]amino ]methylideneamino]imidazol-1-Yl]-3,4-Bis(Oxidanyl)oxolan-2-Yl]methyl Dihydrogen Phosphate
[(2r,3s,4r,5r)-5-[4-Aminocarbonyl-5-[(E)-[[(2r,3r,4s,5r)-3,4-Bis(Oxidanyl)-5-(Phosphonooxymethyl)oxolan-2-Yl]amino]methylideneamino]imidazol-1-Yl]-3,4-Bis(Oxidanyl)oxolan-2-Yl]methyl Dihydrogen Phosphate
{[(2R,3S,4R,5R)-5-{4-carbamoyl-5-[(E)-({N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]amino}methylidene)amino]-1H-imidazol-1-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
1-(5-O-phosphono-β-D-ribofuranosyl)-5-[(5-O-phosphono-β-D-ribofuranosylamino)methylideneamino]-1H-imidazole-4-carboxamide
1-(5-phospho-D-ribosyl)-5-[(5-phospho-D-ribosylamino)methylideneamino]imidazole-4-carboxamide
1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide
5-(5-phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide
5'-ProFAR
Guo
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C04896 [DBID]
CHEBI:18302 [DBID]
  • Miscellaneous
    • Chemical Class:

      A 1-(phosphoribosyl)imidazolecarboxamide that is the 5-(5-phospho-<stereo>beta</stereo>-<stereo>D</stereo>-ribosylamino)methylidene derivative of 5-amino-1-(5-phospho-<stereo>D</stereo>-ribosyl)imidaz ole-4-carboxamide. ChEBI CHEBI:18302

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

Density: 2.3±0.1 g/cm3
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: 1.823
Molar Refractivity: 107.7±0.5 cm3
#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: 338 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 143.2±7.0 dyne/cm
Molar Volume: 246.7±7.0 cm3

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