Cas no 160901-65-5 (Xanthosine-[8-3H] 5′-triphosphate tetraammonium salt)

Xanthosine-[8-3H] 5′-triphosphate tetraammonium salt structure
160901-65-5 structure
Product Name:Xanthosine-[8-3H] 5′-triphosphate tetraammonium salt
CAS No:160901-65-5
MF:C10H27N8O15P3
MW:594.295373439789
CID:109622
PubChem ID:118855845
Update Time:2025-04-18

Xanthosine-[8-3H] 5′-triphosphate tetraammonium salt Chemical and Physical Properties

Names and Identifiers

    • Xanthosine-[8-3H] 5′-triphosphate tetraammonium salt
    • XANTHOSINE 5'-TRIPHOSPHATE, TETRAAMMONIUM SALT, [8-3H]-
    • XANTHOSINE-[8-3H] 5'-TRIPHOSPHATE TETRAAMMONIUM SALT
    • xanthosine-(8-3H) 5'-triphosphate*tetraammonium
    • XANTHOSINE-(8-3H) 5'-TRIPHOSPHATE
    • XANTHOSINE-(8-3H) 5'-TRIPHOSPHATE TETRAAMMONIUM
    • Xanthosine-[8-3h]5'-triphosphate tetraammonium salt
    • 160901-65-5
    • tetraazanium;[[[(2R,3S,4R,5R)-5-(2,6-dioxo-8-tritio-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
    • Inchi: 1S/C10H15N4O15P3.4H3N/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17;;;;/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H2,12,13,17,18);4*1H3/t3-,5-,6-,9-;;;;/m1..../s1/i2T;;;;
    • InChI Key: KJULWAHTJASJRM-MQEKUARTSA-N
    • SMILES: P(=O)([O-])(OP(=O)([O-])OP(=O)([O-])[O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C([3H])=NC3C(NC(NC2=3)=O)=O)O1)O)O.[NH4+].[NH4+].[NH4+].[NH4+]

Computed Properties

  • Exact Mass: 594.08909743g/mol
  • Monoisotopic Mass: 594.08909743g/mol
  • Isotope Atom Count: 1
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 7
  • Complexity: 884
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 301?2

Xanthosine-[8-3H] 5′-triphosphate tetraammonium salt Security Information

  • Hazardous Material transportation number:UN 2910 7
  • WGK Germany:3
  • Hazard Category Code: 10-36/37/38
  • Safety Instruction: 16-26-36
  • Hazardous Material Identification: Xi R
  • Storage Condition:?20°C

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