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Search term: IRLPACMLTUPBCL-KQYNXXCUSA-L (Found by InChIKey (full match))

ChemSpider 2D Image | 5'-O-[(Sulfonatooxy)phosphinato]adenosine | C10H12N5O10PS


  • Molecular FormulaC10H12N5O10PS
  • Average mass425.270 Da
  • Monoisotopic mass425.005341 Da
  • ChemSpider ID26331094
  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5'-O-[(Sulfonatooxy)phosphinato]adenosin [German] [ACD/IUPAC Name]
5'-O-[(Sulfonatooxy)phosphinato]adenosine [ACD/IUPAC Name]
5'-O-[(Sulfonatooxy)phosphinato]adénosine [French] [ACD/IUPAC Name]
Adenosine, 5'-O-[hydroxy(sulfooxy)phosphinyl]-, ion(2-) [ACD/Index Name]
5'-adenylyl sulfate dianion
5'-adenylyl sulfate(2-)
adenosine 5'-phosphosulfate
adenosine 5'-sulphatophosphate
adenosine phosphosulfate
  • Miscellaneous
    • Chemical Class:

      An organic dianion arising from deprotonation of the phosphate and sufate groups of 5'-adenylyl sulfate; major species at pH 7.3. ChEBI CHEBI:58243

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: 15
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -7.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 253 Å2
Surface Tension:
Molar Volume:

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