Cas no 71145-52-3 (2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-(tetrahydro-4-hydroxy-2-furanyl)-, cis- (9CI))

2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-(tetrahydro-4-hydroxy-2-furanyl)-, cis- (9CI) structure
71145-52-3 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-(tetrahydro-4-hydroxy-2-furanyl)-, cis- (9CI)
CAS No:71145-52-3
MF:C8H9FN2O4
MW:216.166465520859
CID:577706
PubChem ID:149473
Update Time:2025-04-19

2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-(tetrahydro-4-hydroxy-2-furanyl)-, cis- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-(tetrahydro-4-hydroxy-2-furanyl)-, cis- (9CI)
    • 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-4-hydroxy-2-furanyl )-, cis-
    • PYMAPGFRXCXQCU-NJGYIYPDSA-N
    • cis-5-Fluoro-1-(tetrahydro-4-hydroxy-2-furanyl)-2,4(1H,3H)-pyrimidinedione
    • 5-Fluoro-1-(4-hydroxytetrahydro-2-furanyl)-2,4(1H,3H)-pyrimidinedione #
    • 1-(cis-4-Hydroxytetrahydro-2-furanyl)-5-fluorouracil
    • 2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-4-hydroxy-2-furanyl)-, cis-
    • cis-4'-Hydroxyftorafur
    • 71145-52-3
    • DTXSID00221339
    • Inchi: 1S/C8H9FN2O4/c9-5-2-11(8(14)10-7(5)13)6-1-4(12)3-15-6/h2,4,6,12H,1,3H2,(H,10,13,14)/t4-,6-/m0/s1
    • InChI Key: PYMAPGFRXCXQCU-NJGYIYPDSA-N
    • SMILES: FC1C(NC(N(C=1)[C@@H]1C[C@@H](CO1)O)=O)=O

Computed Properties

  • Exact Mass: 216.05467
  • Monoisotopic Mass: 216.054635
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 344
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: _1.2
  • Topological Polar Surface Area: 78.9

Experimental Properties

  • Density: 1.59
  • Refractive Index: 1.59
  • PSA: 78.87

2,4(1H,3H)-Pyrimidinedione,5-fluoro-1-(tetrahydro-4-hydroxy-2-furanyl)-, cis- (9CI) Related Literature

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