ChemSpider 2D Image | [(2R,3R,4R,5R)-3-Hydroxy-5-(3H-imidazo[2,1-i]purin-3-yl)-4-(phosphonooxy)tetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred na
me) | C17H24N5O17P3

[(2R,3R,4R,5R)-3-Hydroxy-5-(3H-imidazo[2,1-i]purin-3-yl)-4-(phosphonooxy)tetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred na me)

  • Molecular FormulaC17H24N5O17P3
  • Average mass663.317 Da
  • Monoisotopic mass663.038025 Da
  • ChemSpider ID25057396
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

[(2R,3R,4R,5R)-3-Hydroxy-5-(3H-imidazo[2,1-i]purin-3-yl)-4-(phosphonooxy)tetrahydro-2-furanyl]methyl [(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl dihydrogen diphosphate (non-preferred na me) [ACD/IUPAC Name]
[(2R,3R,4R,5R)-3-Hydroxy-5-(3H-imidazo[2,1-i]purin-3-yl)-4-(phosphonooxy)tetrahydro-2-furanyl]methyl-[(2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2R,3R,4R,5R)-3-hydroxy-5-(3H-imidazo[2,1-i]purin-3-yl)-4-(phosphonooxy)tétrahydro-2-furanyl]méthyle et de [(2R,3S,4R,5R)-3,4,5-trihydroxytétrahydro-2-furanyl]méthyle (non-p referred name) [French] [ACD/IUPAC Name]
ETHENO-NADP

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

Density: 2.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.883
Molar Refractivity: 123.5±0.5 cm3
#H bond acceptors: 22
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.59
ACD/LogD (pH 5.5): -12.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 346 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 161.3±7.0 dyne/cm
Molar Volume: 269.0±7.0 cm3

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