ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-5-(diimidazo[3,4-d:1',3'-e]triazin-3-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate | C21H25N11O14P2

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2R,3S,4R,5R)-5-(diimidazo[3,4-d:1',3'-e]triazin-3-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate

  • Molecular FormulaC21H25N11O14P2
  • Average mass717.436 Da
  • Monoisotopic mass717.105774 Da
  • ChemSpider ID164848

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

73962-09-1 [RN]
GEAAD
Guanosine, 2-aza-N,6-didehydro-N,1-(1,2-ethenediyl)-1,6-dihydro-3'-O-phosphonoadenylyl-(5'-3')-

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

Density: 2.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.050
Molar Refractivity: 145.0±0.5 cm3
#H bond acceptors: 25
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.69
ACD/LogD (pH 5.5): -9.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 367 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 174.8±7.0 dyne/cm
Molar Volume: 280.8±7.0 cm3

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