Cas no 670257-84-8 (Adenosine 5′-(tetrahydrogen triphosphate), 7,8-dihydro-3′-O-methyl-8-thioxo-)

Adenosine 5′-(tetrahydrogen triphosphate), 7,8-dihydro-3′-O-methyl-8-thioxo- structure
670257-84-8 structure
Product Name:Adenosine 5′-(tetrahydrogen triphosphate), 7,8-dihydro-3′-O-methyl-8-thioxo-
CAS No:670257-84-8
MF:C11H18N5O13P3S
MW:553.27
CID:6951772
Update Time:2025-06-30

Adenosine 5′-(tetrahydrogen triphosphate), 7,8-dihydro-3′-O-methyl-8-thioxo- Chemical and Physical Properties

Names and Identifiers

    • Adenosine 5'-(tetrahydrogen triphosphate), 7,8-dihydro-3'-O-methyl-8-thioxo- (9CI)
    • Adenosine 5′-(tetrahydrogen triphosphate), 7,8-dihydro-3′-O-methyl-8-thioxo-
    • Inchi: 1S/C11H18N5O13P3S/c1-25-7-4(2-26-31(21,22)29-32(23,24)28-30(18,19)20)27-10(6(7)17)16-9-5(15-11(16)33)8(12)13-3-14-9/h3-4,6-7,10,17H,2H2,1H3,(H,15,33)(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
    • InChI Key: UKDLSKVLCVTPPQ-KQYNXXCUSA-N
    • SMILES: C(OP(=O)(O)OP(O)(=O)OP(O)(O)=O)[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)NC2=S)[C@H](O)[C@@H]1OC

Experimental Properties

  • Density: 2.03±0.1 g/cm3(Predicted)
  • Boiling Point: 882.6±75.0 °C(Predicted)
  • pka: 0.97±0.50(Predicted)
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