ChemSpider 2D Image | {(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-f uranyl}methyl dihydrogen phosphate | C20H27N7O14P2

{(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-f uranyl}methyl dihydrogen phosphate

  • Molecular FormulaC20H27N7O14P2
  • Average mass651.414 Da
  • Monoisotopic mass651.109131 Da
  • ChemSpider ID110283

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-f uranyl}methyl dihydrogen phosphate [ACD/IUPAC Name]
{(2R,3S,5R)-5-(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}phosphoryl)oxy]tetrahydro-2-f uranyl}methyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de {(2R,3S,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3-[(hydroxy{[(2R,3S,5R)-3-hydroxy-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthoxy}phosp horyl)oxy]tétrahydro-2-furanyl}méthyle [French] [ACD/IUPAC Name]
55684-98-5 [RN]

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: 1.848
Molar Refractivity: 132.2±0.5 cm3
#H bond acceptors: 21
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.92
ACD/LogD (pH 5.5): -9.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 316 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 125.1±7.0 dyne/cm
Molar Volume: 296.3±7.0 cm3

Click to predict properties on the Chemicalize site


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