ChemSpider 2D Image | [(2R,3S,5R)-3-{[{[(2R,3S,5R)-5-(4-Amino-5-bromo-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-oxo-3,6-dihydro-9H-purin-9-yl)tetrahydro-2-furanyl]methyl d ihydrogen phosphate | C19H24BrN7O13P2

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

  • Molecular FormulaC19H24BrN7O13P2
  • Average mass700.284 Da
  • Monoisotopic mass699.009033 Da
  • ChemSpider ID2339098

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2R,3S,5R)-3-{[{[(2R,3S,5R)-5-(4-Amino-5-brom-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-oxo-3,6-dihydro-9H-purin-9-yl)tetrahydro-2-furanyl]methyldih ydrogenphosphat [German] [ACD/IUPAC Name]
[(2R,3S,5R)-3-{[{[(2R,3S,5R)-5-(4-Amino-5-bromo-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-oxo-3,6-dihydro-9H-purin-9-yl)tetrahydro-2-furanyl]methyl d ihydrogen phosphate [ACD/IUPAC Name]
Dihydrogénophosphate de [(2R,3S,5R)-3-{[{[(2R,3S,5R)-5-(4-amino-5-bromo-2-oxo-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]oxy}-5-(6-oxo-3,6-dihydro-9H-purin-9-yl)tétra hydro-2-furanyl]méthyle [French] [ACD/IUPAC Name]
126065-66-5 [RN]
51853-68-0 [RN]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 1027.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.3±3.0 kJ/mol
Flash Point: 575.2±37.1 °C
Index of Refraction: 1.868
Molar Refractivity: 134.4±0.5 cm3
#H bond acceptors: 20
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -4.37
ACD/LogD (pH 5.5): -9.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 299 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 128.4±7.0 dyne/cm
Molar Volume: 296.4±7.0 cm3

Click to predict properties on the Chemicalize site


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