ChemSpider 2D Image | 1-(5-phospho-beta-D-ribosyl)-5'-AMP | C15H23N5O14P2

1-(5-phospho-β-D-ribosyl)-5'-AMP

  • Molecular FormulaC15H23N5O14P2
  • Average mass559.316 Da
  • Monoisotopic mass559.071655 Da
  • ChemSpider ID26333130

  • 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'-AMP
{[(2R,3S,4R,5R)-5-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-imino-6,9-dihydro-1H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
1-(5-O-phosphono-β-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate); 1-(5-phospho-β-D-ribofuranosyl)-5'-adenylic acid
1-(5-phosphoribosyl)-5'-AMP
1-(5-Phosphoribosyl)-AMP
1-(5-Phospho-β-D-ribosyl)-AMP
5-phosphoribosyl-AMP
N1-(5-phospho-D-ribosyl)-AMP
phosphoribosyl-AMP

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

7064825 [DBID]
  • Miscellaneous

    • Chemical Class:

      An AMP-sugar in which the hydrogen at position 1 of AMP is substituted by a 5-phospho-<stereo>beta</stereo>-<stereo>D</stereo>-ribosyl group. ChEBI CHEBI:18374
      An AMP-sugar in which the hydrogen at position 1 of AMP is substituted by a 5-phospho-beta-D-ribosyl group. ChEBI CHEBI:18374

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1068.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.0±3.0 kJ/mol
Flash Point: 599.8±37.1 °C
Index of Refraction: 1.895
Molar Refractivity: 105.2±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.98
ACD/LogD (pH 5.5): -8.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 310 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 159.8±7.0 dyne/cm
Molar Volume: 227.0±7.0 cm3

Click to predict properties on the Chemicalize site


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