ChemSpider 2D Image | (2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2,9-Bis(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 | C20H22N10O12P2

(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2,9-Bis(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 FormulaC20H22N10O12P2
  • Average mass656.397 Da
  • Monoisotopic mass656.090515 Da
  • ChemSpider ID28533624

  • 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 2,9-bis(6-amino-9H-purin-9-yl)-3,10-dihydroxyoctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tétraoxadiphosphacyclododécine-5,12-diolate [French] [ACD/IUPAC Name]
(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2,9-Bis(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-5,12-diolat-5,12-dioxid [German] [ACD/IUPAC Name]
(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2,9-Bis(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]
2H,7H-Difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-3,10-diol, 2,9-bis(6-amino-9H-purin-9-yl)octahydro-5,12-dihydroxy-, ion(2-), 5,12-dioxide, (2R,3R,3aS,7aR,9R,10R,10aS,14aR)- [ACD/Index Name]
3',3'-c-di-AMP
3',5'-cyclic di-AMP(2-)
c-di-AMP
cyclic di-3',5'-guanylate(2-)
cyclic di-AMP(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of cyclic di-AMP; major species at pH 7.3. ChEBI CHEBI:71500

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

Density:
Boiling Point: 1096.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 168.7±3.0 kJ/mol
Flash Point: 617.0±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 22
#H bond donors: 8
#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: 335 Å2
Polarizability:
Surface Tension:
Molar Volume:

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