Cas no 110143-04-9 (9H-Purin-6-amine,9-[2-deoxy-3-O-(methylsulfonyl)-b-D-threo-pentofuranosyl]-)

9H-Purin-6-amine,9-[2-deoxy-3-O-(methylsulfonyl)-b-D-threo-pentofuranosyl]- structure
110143-04-9 structure
Product Name:9H-Purin-6-amine,9-[2-deoxy-3-O-(methylsulfonyl)-b-D-threo-pentofuranosyl]-
CAS No:110143-04-9
MF:C10H12N8O2
MW:276.254679679871
CID:163352
PubChem ID:451816
Update Time:2025-04-19

9H-Purin-6-amine,9-[2-deoxy-3-O-(methylsulfonyl)-b-D-threo-pentofuranosyl]- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purin-6-amine,9-[2-deoxy-3-O-(methylsulfonyl)-b-D-threo-pentofuranosyl]-
    • [(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-azidooxolan-2-yl]methanol
    • 3'-N3-ddA (threo)
    • [(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-azido-tetrahydrofuran-2-yl]methanol
    • 110143-04-9
    • 9-(3'-Azido-2',3'-dideoxy-beta-D-threo-pentofuranosyl)adenine
    • 9-(3'-Azido-2',3'-dideoxy-.beta.-D-threo-pentofuranosyl)adenine
    • W-203455
    • 3'-Azido-2',3'-dideoxyadenosine (threo)
    • DTXSID10149151
    • 3'-AzddxyloA
    • SCHEMBL14580561
    • Inchi: 1S/C10H12N8O2/c11-9-8-10(14-3-13-9)18(4-15-8)7-1-5(16-17-12)6(2-19)20-7/h3-7,19H,1-2H2,(H2,11,13,14)/t5-,6-,7-/m1/s1
    • InChI Key: XDRZJDXXQHFAAE-FSDSQADBSA-N
    • SMILES: O1[C@H](CO)[C@@H](C[C@@H]1N1C=NC2C(N)=NC=NC1=2)N=[N+]=[N-]

Computed Properties

  • Exact Mass: 276.10856
  • Monoisotopic Mass: 276.108
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 403
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 113?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 147.84
  • LogP: 0.40116
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