ChemSpider 2D Image | O-[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]me thyl} hydrogen phosphorothioate | C18H24N5O12PS

O-[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]me thyl} hydrogen phosphorothioate

  • Molecular FormulaC18H24N5O12PS
  • Average mass565.448 Da
  • Monoisotopic mass565.087952 Da
  • ChemSpider ID8160975

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

Hydrogénophosphorothioate de O-[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxyméthyl)tétrahydro-3-furanyle] et de O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)- 3,4-dihydroxytétrahydro-2-furanyl]méthyle} [French] [ACD/IUPAC Name]
O-[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]me thyl} hydrogen phosphorothioate [ACD/IUPAC Name]
O-[(2R,3S,4R,5R)-5-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)tetrahydro-3-furanyl]-O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]me thyl}hydrogenphosphorothioat [German] [ACD/IUPAC Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.827
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.29
ACD/LogD (pH 5.5): -7.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 288 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 108.6±7.0 dyne/cm
Molar Volume: 268.9±7.0 cm3

Click to predict properties on the Chemicalize site


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