ChemSpider 2D Image | [5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]-6-methyltetrahydro-2H-pyr
an-2-yl dihydrogen diphosphate | C24H36N7O19P3

[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]-6-methyltetrahydro-2H-pyr an-2-yl dihydrogen diphosphate

  • Molecular FormulaC24H36N7O19P3
  • Average mass819.499 Da
  • Monoisotopic mass819.127869 Da
  • ChemSpider ID22377220

More details:






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

[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl 3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]-6-methyltetrahydro-2H-pyr an-2-yl dihydrogen diphosphate [ACD/IUPAC Name]
[5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)amino]-6-methyltetrahydro-2H-pyr an-2-yldihydrogendiphosphat [German] [ACD/IUPAC Name]
Dihydrogénodiphosphate de [5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de 3,4-dihydroxy-5-[({3-hydroxy-2-méthyl-5-[(phosphonooxy)méthyl]-4-pyridinyl}méthyl )amino]-6-méthyltétrahydro-2H-pyran-2-yle [French] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.824
Molar Refractivity: 161.2±0.5 cm3
#H bond acceptors: 26
#H bond donors: 13
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.93
ACD/LogD (pH 5.5): -10.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 428 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 126.6±7.0 dyne/cm
Molar Volume: 369.0±7.0 cm3

Click to predict properties on the Chemicalize site






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