ChemSpider 2D Image | diadenosine 5',5'-diphosphate | C20H26N10O13P2

diadenosine 5',5'-diphosphate

  • Molecular FormulaC20H26N10O13P2
  • Average mass676.427 Da
  • Monoisotopic mass676.115601 Da
  • ChemSpider ID9989091
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

Bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl} dihydrogen diphosphate (non-preferred name) [ACD/IUPAC Name]
Bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}dihydrogendiphosphat (non-preferred name) [German] [ACD/IUPAC Name]
diadenosine 5',5'-diphosphate
Dihydrogénodiphosphate de bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle} (non-preferred name) [French] [ACD/IUPAC Name]
1-P,2-P-bis(adenosin-5'-yl)diphosphate
77468
A2D
adenosine(5')diphospho(5')adenosine
adenosine-5'-diphospho-5'-adenosine
APPA
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  • Miscellaneous
    • Chemical Class:

      A diadenosyl diphosphate having two 5'-adenosyl residues attached at the <element>P</element><smallsup>1</smallsup>- and <element>P</element><smallsup>2</smallsup>-positions of the diphosphate. ChEBI CHEBI:47191

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1132.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 174.8±3.0 kJ/mol
Flash Point: 638.7±37.1 °C
Index of Refraction: 1.981
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 23
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.56
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): -8.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 361 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 158.7±7.0 dyne/cm
Molar Volume: 277.4±7.0 cm3

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