Cas no 59432-65-4 (Adenosine 5'-(trihydrogen diphosphate), 8-azido-)

Adenosine 5'-(trihydrogen diphosphate), 8-azido- structure
59432-65-4 structure
Product Name:Adenosine 5'-(trihydrogen diphosphate), 8-azido-
CAS No:59432-65-4
MF:C10H14N8O10P2
MW:468.213282108307
CID:373302
PubChem ID:121934
Update Time:2025-04-19

Adenosine 5'-(trihydrogen diphosphate), 8-azido- Chemical and Physical Properties

Names and Identifiers

    • Adenosine5'-(trihydrogen diphosphate), 8-azido-
    • 8- AZIDOADENOSINE- 5'- O- DIPHOSPHATE ( 8-N3-ADP )
    • 8-azidoadenosine diphosphate
    • 8-Azidoadenosine 5'-diphosphate
    • 8-Azido-ADP
    • 8-Azidoadenosine 5'-(trihydrogen diphosphate)
    • Adenosine 5'-(trihydrogen diphosphate), 8-azido-
    • 8-Azido ADP
    • 8-Azido-ADP
    • 8-Azido-9-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
    • GSN94OF83M
    • 8-azidoadenosine 5'-diphosphate
    • UNII-GSN94OF83M
    • Q27279260
    • 8-Azidoadenosine-5'-O-diphosphate(8-n3-adp)
    • DTXSID70974840
    • 59432-65-4
    • Inchi: 1S/C10H14N8O10P2/c11-7-4-8(14-2-13-7)18(10(15-4)16-17-12)9-6(20)5(19)3(27-9)1-26-30(24,25)28-29(21,22)23/h2-3,5-6,9,19-20H,1H2,(H,24,25)(H2,11,13,14)(H2,21,22,23)/t3-,5-,6-,9-/m1/s1
    • InChI Key: QKOGBDPZPKWEHG-UUOKFMHZSA-N
    • SMILES: P(=O)(O)(OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C(N=[N+]=[N-])=NC3C(N)=NC=NC2=3)O1)O)O

Computed Properties

  • Exact Mass: 468.03102
  • Monoisotopic Mass: 468.03081267g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 780
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: -3.3
  • Topological Polar Surface Area: 247?2

Experimental Properties

  • PSA: 281.36
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