ChemSpider 2D Image | [(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl] phosphate | C15H20N5O17P3

[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl] phosphate

  • Molecular FormulaC15H20N5O17P3
  • Average mass635.266 Da
  • Monoisotopic mass635.008911 Da
  • ChemSpider ID26331345

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

adenosine 5'-[3-(1-O-phosphonato-α-D-ribofuranos-5-O-yl) diphosphate]
ADP-D-ribose 1''-phosphate
ADP-D-ribose 1''-phosphate(4-)
ADP-α-D-ribose 1''-phosphate
ADP-α-D-ribose 1''-phosphate(4-)
  • Miscellaneous

    • Chemical Class:

      Tetraanion of ADP-alpha-D-ribose 1''-phosphate arising from deprotonation of phosphate and diphosphate functions. Major species at pH 7.3. ChEBI CHEBI:58753

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

Density:
Boiling Point: 1074.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.0±3.0 kJ/mol
Flash Point: 603.5±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 22
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.76
ACD/LogD (pH 5.5): -10.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 379 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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