ChemSpider 2D Image | [(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-2-(hydroxymethyl)tetrahydro-3-furanyl hydrogen phos phate | C19H23FN7O11P

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-2-(hydroxymethyl)tetrahydro-3-furanyl hydrogen phos phate

  • Molecular FormulaC19H23FN7O11P
  • Average mass575.398 Da
  • Monoisotopic mass575.117737 Da
  • ChemSpider ID166197

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl (2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-2-(hydroxymethyl)tetrahydro-3-furanyl hydrogen phos phate [ACD/IUPAC Name]
[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydro-2-furanyl]methyl-(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluor-2-(hydroxymethyl)tetrahydro-3-furanylhydrogenphospha t [German] [ACD/IUPAC Name]
Hydrogénophosphate de [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytétrahydro-2-furanyl]méthyle et de (2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-2-(hydroxyméthyl)tétra hydro-3-furanyle [French] [ACD/IUPAC Name]
2'-Deoxy-2'-fluorouridilyl(3'-5')adenosine
55652-39-6 [RN]
Adenosine, 2'-deoxy-2'-fluorouridylyl-(3'-5'-)-

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: 1.853
Molar Refractivity: 117.7±0.5 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -6.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 264 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 113.4±7.0 dyne/cm
Molar Volume: 262.7±7.0 cm3

Click to predict properties on the Chemicalize site


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