Cas no 107870-98-4 (D-Ribitol,1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-, 5-(tetrahydrogentriphosphate), terbium(3+) salt, (S)- (9CI))

D-Ribitol,1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-, 5-(tetrahydrogentriphosphate), terbium(3+) salt, (S)- (9CI) structure
107870-98-4 structure
Product Name:D-Ribitol,1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-, 5-(tetrahydrogentriphosphate), terbium(3+) salt, (S)- (9CI)
CAS No:107870-98-4
MF:C10H13N5O13P3Tb
MW:663.082543134689
CID:186915
PubChem ID:196616
Update Time:2025-04-19

D-Ribitol,1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-, 5-(tetrahydrogentriphosphate), terbium(3+) salt, (S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • D-Ribitol,1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-, 5-(tetrahydrogentriphosphate), terbium(3+) salt, (S)- (9CI)
    • [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] phosphate,terbium(3+)
    • D-Ribitol,1-C-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-, 5-(tetrahydrogentriphosphate), terbium(3+) salt, (S)-
    • formycin triphosphate-terbium complex
    • Tb-Ftp
    • terbium(3+) 5'-O-(hydroxy{[(phosphonatooxy)phosphinato]oxy}phosphoryl)adenosine
    • Terbium-formycin triphosphate complex
    • [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] phosphate;terbium(3+)
    • 107870-98-4
    • Inchi: 1S/C10H16N5O13P3.Tb/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);/q;+3/p-3/t4-,6-,7-,10-;/m1./s1
    • InChI Key: PSLLFKJOYFNXDT-MCDZGGTQSA-K
    • SMILES: [Tb+3].P(=O)(O)(OP(=O)([O-])OP(=O)([O-])[O-])OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 662.89739
  • Monoisotopic Mass: 662.898
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 7
  • Complexity: 780
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing
  • Topological Polar Surface Area: 288?2

Experimental Properties

  • Boiling Point: 951.4°C at 760 mmHg
  • Flash Point: 529.2°C
  • PSA: 287.62
  • LogP: 0.26680
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