Cas no 66840-02-6 (2'-deoxy-2'-fluorouridine 5'-(tetrahydrogen triphosphate))

2'-deoxy-2'-fluorouridine 5'-(tetrahydrogen triphosphate) structure
66840-02-6 structure
Product Name:2'-deoxy-2'-fluorouridine 5'-(tetrahydrogen triphosphate)
CAS No:66840-02-6
MF:C9H14FN2O14P3
MW:486.132149219513
CID:1718815
PubChem ID:191821
Update Time:2025-04-21

2'-deoxy-2'-fluorouridine 5'-(tetrahydrogen triphosphate) Chemical and Physical Properties

Names and Identifiers

    • 2'-deoxy-2'-fluorouridine 5'-(tetrahydrogen triphosphate)
    • Uridine 5'-(tetrahydrogen triphosphate), 2'-deoxy-2'-fluoro-
    • DTXSID80216965
    • [[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
    • ((2R,3R,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
    • (((2R,3R,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid
    • 66840-02-6
    • 2'-Deoxy-2'-fluorouridine-5'-triphosphate
    • J-700022
    • 2'F-UTP
    • 2'-fluoro-2' deoxyuridine-5'-triphosphate
    • (((2R,3R,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxytetrahydrofuran-2-yl)methyl)triphosphoricacid
    • DTXCID10139456
    • [[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
    • 2'-fluoro-2'-deoxyuridine-5'-triphosphate
    • SCHEMBL1274715
    • Inchi： 1S/C9H14FN2O14P3/c10-6-7(14)4(24-8(6)12-2-1-5(13)11-9(12)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3H2,(H,19,20)(H,21,22)(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
    • InChI Key： HCXHLIFQJYSIBK-XVFCMESISA-N
    • SMILES： P(=O)(O)(OP(=O)(O)OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=CC(NC2=O)=O)O1)F)O

Computed Properties

  • Exact Mass: 485.96422
  • Monoisotopic Mass: 485.96419228g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 8
  • Complexity: 844
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -4.8
  • Topological Polar Surface Area: 239?2

Experimental Properties

  • PSA: 238.69

2'-deoxy-2'-fluorouridine 5'-(tetrahydrogen triphosphate) Related Literature

66840-02-6 (2'-deoxy-2'-fluorouridine 5'-(tetrahydrogen triphosphate)) Related Products

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