ChemSpider 2D Image | 9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-2-{[({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-oxo-6,9-dihydro-3H-purin-2-yl}amino)methyl]amino}-1,
9-dihydro-6H-purin-6-one | C21H26N10O10

9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-2-{[({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-oxo-6,9-dihydro-3H-purin-2-yl}amino)methyl]amino}-1, 9-dihydro-6H-purin-6-one

  • Molecular FormulaC21H26N10O10
  • Average mass578.492 Da
  • Monoisotopic mass578.183350 Da
  • ChemSpider ID26024955
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

2,2'-(Méthylènediimino)bis{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxyméthyl)tétrahydro-2-furanyl]-1,9-dihydro-6H-purin-6-one} [French] [ACD/IUPAC Name]
9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-2-{[({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-oxo-6,9-dihydro-3H-purin-2-yl}amino)methyl]amino}-1, 9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-2-{[({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-6-oxo-6,9-dihydro-3H-purin-2-yl}amino)methyl]amino}-1, 9-dihydro-6H-purin-6-one [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 2.016
Molar Refractivity: 126.0±0.5 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -6.25
ACD/LogD (pH 5.5): -5.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 282 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 133.0±7.0 dyne/cm
Molar Volume: 249.3±7.0 cm3

Click to predict properties on the Chemicalize site






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