ChemSpider 2D Image | 2'-[2-(5-phosphoribosyl)-5-phosphoribosyl]-5'-AMP | C20H32N5O21P3


  • Molecular FormulaC20H32N5O21P3
  • Average mass771.410 Da
  • Monoisotopic mass771.080261 Da
  • ChemSpider ID30785795
  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

5-O-Phosphono-β-D-ribofuranosyl-(1->;2)-5-O-phosphono-β-D-ribofuranosyl-(1->2)adenosin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
5-O-Phosphono-β-D-ribofuranosyl-(1->;2)-5-O-phosphono-β-D-ribofuranosyl-(1->2)adenosine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
5-O-Phosphono-β-D-ribofuranosyl-(1->;2)-5-O-phosphono-β-D-ribofuranosyl-(1->2)adénosine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Adenosine, O-5-O-phosphono-β-D-ribofuranosyl-(1->2)-O-5-O-phosphono-β-D-ribofuranosyl-(1->;2)-, 5'-(dihydrogen phosphate) [ACD/Index Name]
2'-[2"-(1'''-ribosyl)-1"-ribosyl]adenosine 5',5",5'''-tris(phosphate)
2'-[2"-(5'''-phosphoribosyl)-5"-phosphoribosyl]adenosine 5'-monophosphate
  • Miscellaneous
    • Chemical Class:

      An AMP-sugar in which the 2'-hydroxy group of AMP carries a 5-phospho-<stereo>beta</stereo>-<stereo>D</stereo>-ribosyl substituent, the 2-hydroxy group of which itself carries a further 5-phospho-<ste reo>beta</stereo>-<stereo>D</stereo>-ribosyl substituent. Branched portion of poly(ADP-Rib) [poly(adenosine diphosphate ribose)]. ChEBI CHEBI:76111

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

Density: 2.5±0.1 g/cm3
Boiling Point: 1242.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 193.9±3.0 kJ/mol
Flash Point: 705.1±37.1 °C
Index of Refraction: 1.860
Molar Refractivity: 139.8±0.5 cm3
#H bond acceptors: 26
#H bond donors: 12
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -10.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 426 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 156.3±7.0 dyne/cm
Molar Volume: 310.3±7.0 cm3

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