ChemSpider 2D Image | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3S,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl phosphate | C15H21N5O14P2

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

  • Molecular FormulaC15H21N5O14P2
  • Average mass557.301 Da
  • Monoisotopic mass557.057129 Da
  • ChemSpider ID26330987

  • Charge - Charge

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

adenosine 5'-(5-deoxy-D-ribofuranos-5-yl diphosphate)
adenosine 5'-[3-(D-ribofuranos-5-O-yl) diphosphate]
adenosine diphosphate D-ribose
Adenosine diphosphate ribose [Wiki]
ADP-D-ribose
ADP-D-ribose(2-)
ADP-ribose
D-ribofuranos-5-yl-ADP dianion
  • Miscellaneous

    • Chemical Class:

      A nucleotide-sugar oxoanion that is the dianion of ADP-D-ribose(2-) arising from deprotonation of the phosphate OH groups; major species at pH 7.3. ChEBI CHEBI:57967

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

Density:
Boiling Point: 956.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 145.9±3.0 kJ/mol
Flash Point: 532.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.50
ACD/LogD (pH 5.5): -9.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 317 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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