Cas no 488099-51-0 ([(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate)

[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate structure
488099-51-0 structure
Product Name:[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS No:488099-51-0
MF:C10H14FN2O8P
MW:340.198927402496
CID:2850522
PubChem ID:499787
Update Time:2025-04-21

[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate Chemical and Physical Properties

Names and Identifiers

    • [(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
    • DTXSID60333326
    • CHEMBL1160603
    • 488099-51-0
    • 1-{(2R,3R,4R,5R)-3-Fluoro-4-hydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-5-methyl-1,3-dihydropyrimidine-2,4-dione
    • Inchi: 1S/C10H14FN2O8P/c1-4-2-13(10(16)12-8(4)15)9-6(11)7(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14H,3H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1
    • InChI Key: XJQFIHYTCPKUTK-JXOAFFINSA-N
    • SMILES: P(=O)(O)(O)OC[C@@H]1[C@H]([C@H]([C@H](N2C(NC(C(C)=C2)=O)=O)O1)F)O

Computed Properties

  • Exact Mass: 340.04718057Da
  • Monoisotopic Mass: 340.04718057Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 563
  • 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: -2.5
  • Topological Polar Surface Area: 146?2

[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate Related Literature

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