ChemSpider 2D Image | [(2R,3S,5R)-5-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-fura nyl hydrogen phosphate | C19H24FN4O12P

[(2R,3S,5R)-5-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-fura nyl hydrogen phosphate

  • Molecular FormulaC19H24FN4O12P
  • Average mass550.386 Da
  • Monoisotopic mass550.111206 Da
  • ChemSpider ID145920

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(2R,3S,5R)-5-(5-Fluor-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl-(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-furan ylhydrogenphosphat [German] [ACD/IUPAC Name]
[(2R,3S,5R)-5-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytetrahydro-2-furanyl]methyl (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-3-fura nyl hydrogen phosphate [ACD/IUPAC Name]
Hydrogénophosphate de [(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxytétrahydro-2-furanyl]méthyle et de (2R,3S,5R)-2-(hydroxyméthyl)-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)- pyrimidinyl)tétrahydro-3-furanyle [French] [ACD/IUPAC Name]
13276-67-0 [RN]
Dtpdfu
Thymidine, 2'-deoxy-5-fluorouridyl-(5'-3')-
Thymidylyl-(3'-5')-2'-deoxy-5-fluorouridine

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 115.1±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.49
ACD/LogD (pH 5.5): -7.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 87.5±5.0 dyne/cm
Molar Volume: 317.7±5.0 cm3

Click to predict properties on the Chemicalize site


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