Cas no 70465-85-9 (3'-Deoxy-3'-acetamido-thymidine)

3'-Deoxy-3'-acetamido-thymidine structure
70465-85-9 structure
Product Name:3'-Deoxy-3'-acetamido-thymidine
CAS No:70465-85-9
MF:C12H17N3O5
MW:283.280483007431
CID:975192
Update Time:2023-08-02

3'-Deoxy-3'-acetamido-thymidine Chemical and Physical Properties

Names and Identifiers

    • 3'-acetamido-2',3'-dideoxythymidine
    • 2,4(1H,3H)-pyrimidinedione, 1-[3-(acetylamino)-2,3-dideoxypentofuranosyl]-5-methyl-
    • 3'-DEOXY-3'-ACETAMIDO-THYMIDINE
    • 3'-(Acetylamino)-3'-deoxythymidine
    • Thymidine, 3'-(acetylamino)-3'-deoxy-
    • 3'-Acetylamino-3'-dT
    • 3'-Acetylamino-3'-deoxythymidine
    • BDBM50000981
    • Q27457224
    • 1-{2,3-Dideoxy-3-[(1-hydroxyethylidene)amino]pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one
    • N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]acetamide
    • 3'-Deoxy-3'-acetamido-thymidine
    • Inchi: 1S/C12H17N3O5/c1-6-4-15(12(19)14-11(6)18)10-3-8(13-7(2)17)9(5-16)20-10/h4,8-10,16H,3,5H2,1-2H3,(H,13,17)(H,14,18,19)/t8-,9+,10+/m0/s1
    • InChI Key: OCWNRLPPKHGFCE-IVZWLZJFSA-N
    • SMILES: O1[C@H](C[C@@H]([C@H]1CO)NC(C)=O)N1C(NC(C(C)=C1)=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 476
  • XLogP3: -0.8
  • Topological Polar Surface Area: 108
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