ChemSpider 2D Image | 5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide | C15H25N5O15P2

5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-β-D-ribosyl)imidazole-4-carboxamide

  • Molecular FormulaC15H25N5O15P2
  • Average mass577.331 Da
  • Monoisotopic mass577.082214 Da
  • ChemSpider ID168131
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-β-D-ribosyl)imidazole-4-carboxamide
[(2r,3s,4r,5r)-5-[4-Aminocarbonyl-5-[[(Z)-[(3r,4r)-3,4-Dihydroxy-2-Oxo-5-Phosphonooxy-Pentyl]iminomethyl]amino]imidazol-1-Yl]-3,4-Dihydroxy-Oxolan-2-Yl]methyl Dihydrogen Phosphate
{[(2R,3R)-5-[(E)-N'-{4-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-5-yl}methenimidamido]-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid
{[(2R,3R)-5-{[({4-carbamoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-5-yl}amino)methylidene]amino}-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid
1PR
2ER
36244-86-7 [RN]
5-((5-phospho-1-deoxyribulos-1-ylamino)methylideneamino)-1-(5-phosphoribosyl)imidazole-4-carboxamide
5-[(5-O-phosphono-1-deoxy-D-ribulos-1-ylamino)methylideneamino]-1-(5-O-phosphono-D-ribosyl)imidazole-4-carboxamide
5-[(5-O-phosphono-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-O-phosphono-β-D-ribosyl)imidazole-4-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C04916 [DBID]
CHEBI:27735 [DBID]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1169.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.2±3.0 kJ/mol
Flash Point: 661.3±37.1 °C
Index of Refraction: 1.762
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 20
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -8.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 127.9±7.0 dyne/cm
Molar Volume: 266.0±7.0 cm3

Click to predict properties on the Chemicalize site






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