ChemSpider 2D Image | 2-Amino-9-[(2S,3S,3aR,7aR,9R,10R,10aS,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-3,9-dihyd ro-6H-purin-6-one | C20H24N10O13P2

2-Amino-9-[(2S,3S,3aR,7aR,9R,10R,10aS,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-3,9-dihyd ro-6H-purin-6-one

  • Molecular FormulaC20H24N10O13P2
  • Average mass674.411 Da
  • Monoisotopic mass674.099976 Da
  • ChemSpider ID9344954

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-Amino-9-[(2S,3S,3aR,7aR,9R,10R,10aS,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-3,9-dihyd ro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[(2S,3S,3aR,7aR,9R,10R,10aS,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-3,9-dihyd ro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[(2S,3S,3aR,7aR,9R,10R,10aS,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tétrahydroxy-5,12-dioxydooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tétraoxadiphosphacyclododécin-2-yl]-3,9-dihyd ro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-9-[(2S,3S,3aR,7aR,9R,10R,10aS,14aS)-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]-3,9-dihydro- [ACD/Index Name]

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

Density: 2.6±0.1 g/cm3
Boiling Point: 1159.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 179.5±3.0 kJ/mol
Flash Point: 655.3±37.1 °C
Index of Refraction: 2.071
Molar Refractivity: 135.0±0.5 cm3
#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: 345 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 178.5±7.0 dyne/cm
Molar Volume: 258.1±7.0 cm3

Click to predict properties on the Chemicalize site


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