Cas no 61286-93-9 (5'-Adenylic acid, 8-bromo-2'-deoxy-)

5'-Adenylic acid, 8-bromo-2'-deoxy- structure
61286-93-9 structure
Product Name:5'-Adenylic acid, 8-bromo-2'-deoxy-
CAS No:61286-93-9
MF:C10H13BrN5O6P
MW:410.117881536484
CID:485767
Update Time:2024-01-30

5'-Adenylic acid, 8-bromo-2'-deoxy- Chemical and Physical Properties

Names and Identifiers

    • 5'-Adenylic acid, 8-bromo-2'-deoxy-
    • [(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
    • 5'-Adenylic acid, 8-bromo-2'-deoxy- (9CI)
    • Inchi: 1S/C10H13BrN5O6P/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(17)5(22-6)2-21-23(18,19)20/h3-6,17H,1-2H2,(H2,12,13,14)(H2,18,19,20)/t4-,5+,6+/m0/s1
    • InChI Key: QNKYBSSDLXRGGF-KVQBGUIXSA-N
    • SMILES: P(OC[C@H]1O[C@@H](N2C3C(=C(N=CN=3)N)N=C2Br)C[C@@H]1O)(O)(O)=O

Computed Properties

  • Exact Mass: 408.97879

Experimental Properties

  • Density: 2.48±0.1 g/cm3(Predicted)
  • Boiling Point: 791.7±70.0 °C(Predicted)
  • PSA: 165.84
  • LogP: 0.50990
  • pka: 1.86±0.10(Predicted)
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