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ChemSpider 2D Image | 3'-O-Phosphonato-5'-O-[(sulfonatooxy)phosphinato]adenosine | C10H11N5O13P2S


  • Molecular FormulaC10H11N5O13P2S
  • Average mass503.235 Da
  • Monoisotopic mass502.957123 Da
  • ChemSpider ID26331128
  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-O-Phosphonato-5'-O-[(sulfonatooxy)phosphinato]adenosin [German] [ACD/IUPAC Name]
3'-O-Phosphonato-5'-O-[(sulfonatooxy)phosphinato]adenosine [ACD/IUPAC Name]
3'-O-Phosphonato-5'-O-[(sulfonatooxy)phosphinato]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy(sulfooxy)phosphinyl]-, 3'-(dihydrogen phosphate), ion(4-) [ACD/Index Name]
3'-phospho-5'-adenylyl sulfate
3'-Phosphoadenylyl sulfate
3'-phosphonato-5'-adenylyl sulfate
3'-phosphonato-5'-adenylyl sulfate tetraanion
  • Miscellaneous
    • Chemical Class:

      A quadruply-charged organophosphate oxoanion arising from deprotonation of the phosphate and sufate groups of 3'-phosphonato-5'-adenylyl sulfate; major species at pH 7.3. ChEBI CHEBI:58339

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

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.19
ACD/LogD (pH 5.5): -9.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 315 Å2
Surface Tension:
Molar Volume:

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