ChemSpider 2D Image | (4aR,6R,7R,7aS)-7-Hydroxy-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide | C10H10N4O7P

(4aR,6R,7R,7aS)-7-Hydroxy-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide

  • Molecular FormulaC10H10N4O7P
  • Average mass329.183 Da
  • Monoisotopic mass329.029266 Da
  • ChemSpider ID58827346

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,6R,7R,7aS) 2-Oxyde de 7-hydroxy-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)tétrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate [French] [ACD/IUPAC Name]
(4aR,6R,7R,7aS)-7-Hydroxy-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olat-2-oxid [German] [ACD/IUPAC Name]
(4aR,6R,7R,7aS)-7-Hydroxy-6-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-olate 2-oxide [ACD/IUPAC Name]
6H-Purin-6-one, 1,9-dihydro-9-[(4aR,6R,7R,7aS)-tetrahydro-2,7-dihydroxy-2-oxido-4H-furo[3,2-d]-1,3,2-dioxaphosphorin-6-yl]-, ion(1-) [ACD/Index Name]
3',5'-Cyclic IMP
3',5'-cyclic IMP(1-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion that is the conjugate base of 3',5'-cyclic IMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3. ChEBI CHEBI:134197

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 157 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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