ChemSpider 2D Image | [(2R,3S,4R,5R)-5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)tetrahydrofuran-2-yl]-6-imino-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate | C15H19N5O14P2

[(2R,3S,4R,5R)-5-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)tetrahydrofuran-2-yl]-6-imino-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate

  • Molecular FormulaC15H19N5O14P2
  • Average mass555.286 Da
  • Monoisotopic mass555.042542 Da
  • ChemSpider ID26331622

  • 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)adenosine 5'-phosphate
1-(5-O-phosphonato-β-D-ribofuranosyl)adenosine 5'-phosphate; 1-(5-phosphonato-β-D-ribofuranosyl)-5'-adenylate
1-(5-phosphonatoribosyl)-5'-AMP tetraanion
1-(5-phosphonatoribosyl)-5'-AMP(4-)
1-(5-phosphonato-β-D-ribofuranosyl)-5'-adenylate
1-(5-phosphonato-β-D-ribosyl)-5'-AMP tetraanion
1-(5-phosphonato-β-D-ribosyl)-5'-AMP(4-)
1-(5-phosphoribosyl)-5'-AMP
1-(5-Phosphoribosyl)-AMP
1-(5-phospho-β-D-ribosyl)-5'-AMP
More...
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion arising from deprotonation of all four phosphate OH groups of 1-(5-phospho-beta-D-ribosyl)-5'-AMP; major species at pH 7.3. ChEBI CHEBI:59457

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

Density:
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:
Molar Refractivity:
#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: 321 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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