ChemSpider 2D Image | (2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-9-(6-amino-9H-purin-9-yl)-3,10-dihydroxyoctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5, 12-diolate 5,12-dioxide | C20H22N10O13P2

(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-9-(6-amino-9H-purin-9-yl)-3,10-dihydroxyoctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5, 12-diolate 5,12-dioxide

  • Molecular FormulaC20H22N10O13P2
  • Average mass672.396 Da
  • Monoisotopic mass672.085388 Da
  • ChemSpider ID28533625

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,3aS,7aR,9R,10R,10aS,14aR) 5,12-Dioxyde de 2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-9-(6-amino-9H-purin-9-yl)-3,10-dihydroxyoctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tétraoxadiphospha cyclododécine-5,12-diolate [French] [ACD/IUPAC Name]
(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-9-(6-amino-9H-purin-9-yl)-3,10-dihydroxyoctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-5,1 2-diolat-5,12-dioxid [German] [ACD/IUPAC Name]
(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-9-(6-amino-9H-purin-9-yl)-3,10-dihydroxyoctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-5, 12-diolate 5,12-dioxide [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-[(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-9-(6-amino-9H-purin-9-yl)octahydro-3,5,10,12-tetrahydroxy-5,12-dioxido-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin -2-yl]-1,9-dihydro-, ion(2-) [ACD/Index Name]
3',3'-cGAMP
3',5'-cyclic GMP-AMP(2-)
cGAMP(2-)
c-GMP-AMP(2-)
cyclic G(3'-5')pA(3'-5')p
cyclic GMP-AMP
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of c-GMP-AMP; major species at pH 7.3. ChEBI CHEBI:71501

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 23
#H bond donors: 9
#Freely Rotating Bonds: 2
#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: 351 Å2
Polarizability:
Surface Tension:
Molar Volume:

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