ChemSpider 2D Image | 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-[[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9-oxo-5H-imidazo[1,2-a]purin-7-yl]methyl]-5H-imidazo[1,2-a]purin-9-one | C25H26N10O10

3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-[[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9-oxo-5H-imidazo[1,2-a]purin-7-yl]methyl]-5H-imidazo[1,2-a]purin-9-one

  • Molecular FormulaC25H26N10O10
  • Average mass626.535 Da
  • Monoisotopic mass626.183350 Da
  • ChemSpider ID26001679

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-[[3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9-oxo-5H-imidazo[1,2-a]purin-7-yl]methyl]-5H-imidazo[1,2-a]purin-9-one

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1172.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.6±3.0 kJ/mol
Flash Point: 662.7±37.1 °C
Index of Refraction: 2.079
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -4.96
ACD/LogD (pH 5.5): -4.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 265 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 137.9±7.0 dyne/cm
Molar Volume: 268.5±7.0 cm3

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