ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen | C24H36N7O19P3

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen

  • Molecular FormulaC24H36N7O19P3
  • Average mass819.499 Da
  • Monoisotopic mass819.127869 Da
  • ChemSpider ID25056710

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)a mino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)a mino]-6-methyltetrahydro-2H-pyran-2-yldihydrogendiphosphat [German] [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen
Dihydrogénodiphosphate de [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-méthyl-5-[(phosphon ooxy)méthyl]-4-pyridinyl}méthyl)amino]-6-méthyltétrahydro-2H-pyran-2-yle [French] [ACD/IUPAC Name]
[(2r,3s,4r,5r)-5-(2-Amino-6-Oxo-1,6-Dihydro-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl (2r,3s,4s,5s,6r)-3,4-Dihydroxy-5-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)methyl]pyridin-4-Yl}methyl)amino]-6-Methyltetrahydro-2h-Pyran-2-Yl Dihydrogen Diphosphate
G4M

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

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


Advertisement