Cas no 285978-17-8 (Tetrasodium;[[[(2R,3S,4R,5R)-5-(2-(15N)azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate)

Tetrasodium;[[[(2R,3S,4R,5R)-5-(2-(15N)azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate structure
285978-17-8 structure
Product Name:Tetrasodium;[[[(2R,3S,4R,5R)-5-(2-(15N)azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CAS No:285978-17-8
MF:C10H12N5Na4O14P3
MW:626.001341819763
CID:248543
Update Time:2023-08-02

Tetrasodium;[[[(2R,3S,4R,5R)-5-(2-(15N)azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Chemical and Physical Properties

Names and Identifiers

    • Guanosine-13C10-15N55'-(tetrahydrogen triphosphate), sodium salt (9CI)
    • Guanosine-1013C-5-15N 5μ-triphosphate sodium salt
    • Tetrasodium;[[[(2R,3S,4R,5R)-5-(2-(15N)azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan
    • Tetrasodium;[[[(2R,3S,4R,5R)-5-(2-(15N)azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
    • Inchi： 1S/C10H16N5O14P3.4Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);;;;/q;4*+1/p-4/t3-,5-,6-,9-;;;;/m1..../s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1;;;;
    • InChI Key： XCSVCFZQFRBYFA-CLMDIPASSA-J
    • SMILES： P(=O)([O-])(OP(=O)([O-])OP(=O)([O-])[O-])O[13CH2][13C@@H]1[13C@H]([13C@H]([13C@H]([15N]2[13CH]=[15N][13C]3[13C]([15NH][13C]([15NH2])=[15N][13C]2=3)=O)O1)O)O.[Na+].[Na+].[Na+].[Na+]

Computed Properties

  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 7
  • Complexity: 899
  • Topological Polar Surface Area: 306

Tetrasodium;[[[(2R,3S,4R,5R)-5-(2-(15N)azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate Related Literature

285978-17-8 (Tetrasodium;[[[(2R,3S,4R,5R)-5-(2-(15N)azanyl-6-oxo-1H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate) Related Products

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