ChemSpider 2D Image | cyclic di-AMP | C20H24N10O12P2

cyclic di-AMP

  • Molecular FormulaC20H24N10O12P2
  • Average mass658.412 Da
  • Monoisotopic mass658.105042 Da
  • ChemSpider ID9333199

  • 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)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tétraoxadiphosphacyclododécine-3,5,10,12-tétrol [French] [ACD/IUPAC Name]
(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2,9-Bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-3,5,10,12-tetrol-5,12-dioxid [German] [ACD/IUPAC Name]
(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2,9-Bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 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-, 5,12-dioxide, (2R,3R,3aS,7aR,9R,10R,10aS,14aR)- [ACD/Index Name]
54447-84-6 [RN]
cyclic di-AMP
Cyclic-di-AMP
(2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-Bis(6-Amino-9h-Purin-9-Yl)octahydro-2h,7h-Difuro[3,2-D:3',2'-J][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-Tetrol 5,12-Dioxide
(2R,3R,3aS,7aR,9R,10R,10aS,14aR)-2,9-bis(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxyoctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9]tetraoxa[2,8]diphosphacyclododecine 5,12-dioxide
126877-05-2 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.5±0.1 g/cm3
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: 2.043
Molar Refractivity: 134.1±0.5 cm3
#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: 329 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 166.9±7.0 dyne/cm
Molar Volume: 260.9±7.0 cm3

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