ChemSpider 2D Image | [(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-{[{[(2R,3S,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}tetrahydro-2-furanyl]methyl dihydrogen phosphate | C19H25N7O13P2

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

  • Molecular FormulaC19H25N7O13P2
  • Average mass621.388 Da
  • Monoisotopic mass621.098572 Da
  • ChemSpider ID58859

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-{[{[(2R,3S,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}tetrahydro-2-furanyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(2R,3S,5R)-5-(6-Amino-9H-purin-9-yl)-3-{[{[(2R,3S,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}tetrahydro-2-furanyl]methyldihydrogenph osphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-{[{[(2R,3S,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}tétrahydro-2-fu ranyl]méthyle [French] [ACD/IUPAC Name]
34607-75-5 [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: 1.850
Molar Refractivity: 126.9±0.5 cm3
#H bond acceptors: 20
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.21
ACD/LogD (pH 5.5): -9.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 127.6±7.0 dyne/cm
Molar Volume: 283.9±7.0 cm3

Click to predict properties on the Chemicalize site


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