Cas no 60102-52-5 (2,4(1H,3H)-Pyrimidinedione,1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-arabinofuranosyl]-)

2,4(1H,3H)-Pyrimidinedione,1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-arabinofuranosyl]- structure
60102-52-5 structure
Product Name:2,4(1H,3H)-Pyrimidinedione,1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-arabinofuranosyl]-
CAS No:60102-52-5
MF:C9H15N2O15P3
MW:484.141085863113
CID:511524
PubChem ID:151607
Update Time:2025-04-19

2,4(1H,3H)-Pyrimidinedione,1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-arabinofuranosyl]- Chemical and Physical Properties

Names and Identifiers

    • 2,4(1H,3H)-Pyrimidinedione,1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-b-D-arabinofuranosyl]-
    • [[(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
    • ara-UTP
    • Inchi: 1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1
    • InChI Key: PGAVKCOVUIYSFO-CCXZUQQUSA-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)O)O

Computed Properties

  • Exact Mass: 483.96852877g/mol
  • Monoisotopic Mass: 483.96852877g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 8
  • Complexity: 839
  • 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: -5.8
  • Topological Polar Surface Area: 259?2
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