ChemSpider 2D Image | [(2S,3R,4S,5S)-3,4-Dihydroxy-5-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)tetrahydro-2-furanyl]methyl (2S,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (no n-preferred name) | C16H23N5O15P2

[(2S,3R,4S,5S)-3,4-Dihydroxy-5-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)tetrahydro-2-furanyl]methyl (2S,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (no n-preferred name)

  • Molecular FormulaC16H23N5O15P2
  • Average mass587.326 Da
  • Monoisotopic mass587.066589 Da
  • ChemSpider ID68027674

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2S,3R,4S,5S)-3,4-Dihydroxy-5-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)tetrahydro-2-furanyl]methyl (2S,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (no n-preferred name) [ACD/IUPAC Name]
[(2S,3R,4S,5S)-3,4-Dihydroxy-5-(2-imino-6-oxo-1,2,3,6-tetrahydro-9H-purin-9-yl)tetrahydro-2-furanyl]methyl-(2S,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxotetrahydro-2H-pyran-2-yldihydrogendiphosphat (non-p referred name) [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [(2S,3R,4S,5S)-3,4-dihydroxy-5-(2-imino-6-oxo-1,2,3,6-tétrahydro-9H-purin-9-yl)tétrahydro-2-furanyl]méthyle et de (2S,3R,4S,6S)-3,4-dihydroxy-6-méthyl-5-oxotétrahydro-2H-pyra n-2-yle (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.869
Molar Refractivity: 110.1±0.5 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.47
ACD/LogD (pH 5.5): -8.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 321 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 146.0±7.0 dyne/cm
Molar Volume: 242.5±7.0 cm3

Click to predict properties on the Chemicalize site


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