ChemSpider 2D Image | [(2R,3S,4R,5R)-3-{[{[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-4-hydroxy-5-(6-oxo-3,6-dihydro-9H-purin-9-yl)tetrahydro-2-fura nyl]methyl dihydrogen phosphate | C19H25N7O15P2

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

  • Molecular FormulaC19H25N7O15P2
  • Average mass653.387 Da
  • Monoisotopic mass653.088379 Da
  • ChemSpider ID185150

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-3-{[{[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-4-hydroxy-5-(6-oxo-3,6-dihydro-9H-purin-9-yl)tetrahydro-2-fura nyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-3-{[{[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-4-hydroxy-5-(6-oxo-3,6-dihydro-9H-purin-9-yl)tetrahydro-2-fura nyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de [(2R,3S,4R,5R)-3-{[{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}-4-hydroxy-5-(6-oxo-3,6-dihydro-9H-puri n-9-yl)tétrahydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1115.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.9±3.0 kJ/mol
Flash Point: 628.5±37.1 °C
Index of Refraction: 1.891
Molar Refractivity: 128.6±0.5 cm3
#H bond acceptors: 22
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.11
ACD/LogD (pH 5.5): -9.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 339 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 144.8±7.0 dyne/cm
Molar Volume: 278.3±7.0 cm3

Click to predict properties on the Chemicalize site


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