Cas no 65263-60-7 (Adenosine, 8-azido-N-(phenylmethyl)-)

Adenosine, 8-azido-N-(phenylmethyl)- structure
65263-60-7 structure
Product Name:Adenosine, 8-azido-N-(phenylmethyl)-
CAS No:65263-60-7
MF:C17H18N8O4
MW:398.37602186203
CID:389219
PubChem ID:71370773
Update Time:2025-04-19

Adenosine, 8-azido-N-(phenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • Adenosine, 8-azido-N-(phenylmethyl)-
    • (2R,3R,4S,5R)-2-[8-azido-6-(benzylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
    • DTXSID20793740
    • 8-azido-n6-benzyladenosine
    • 8-Azido-N-benzyladenosine
    • 65263-60-7
    • Inchi: 1S/C17H18N8O4/c18-24-23-17-22-11-14(19-6-9-4-2-1-3-5-9)20-8-21-15(11)25(17)16-13(28)12(27)10(7-26)29-16/h1-5,8,10,12-13,16,26-28H,6-7H2,(H,19,20,21)/t10-,12-,13-,16-/m1/s1
    • InChI Key: XFJPNSUSUNROGI-XNIJJKJLSA-N
    • SMILES: O1[C@H](CO)[C@H]([C@H]([C@@H]1N1C(N=[N+]=[N-])=NC2C(=NC=NC1=2)NCC1C=CC=CC=1)O)O

Computed Properties

  • Exact Mass: 398.14510109g/mol
  • Monoisotopic Mass: 398.14510109g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 6
  • Complexity: 602
  • 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: 1.5
  • Topological Polar Surface Area: 140?2
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