Cas no 133488-25-2 (1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione)

1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione structure
133488-25-2 structure
Product Name:1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
CAS No:133488-25-2
MF:C11H17N3O5
MW:271.269782781601
CID:1232970
PubChem ID:452878
Update Time:2025-04-20

1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione Chemical and Physical Properties

Names and Identifiers

    • 1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
    • 1-(3-Amino-2,3-dideoxy-.alpha.-D-arabino-hexofuranosyl)thymine
    • 1-(3-Amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)thymine
    • 2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3-dideoxy-.alpha.-D-arabino-hexofuranosyl)-5-methyl-
    • 2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-methyl-
    • 1-[(2S,4R,5S)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
    • 133488-25-2
    • DTXSID60158132
    • 1-[(2S,4R,5S)-4-amino-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
    • 3NH-D-arab-ddT deriv.
    • Inchi： 1S/C11H17N3O5/c1-5-3-14(11(18)13-10(5)17)8-2-6(12)9(19-8)7(16)4-15/h3,6-9,15-16H,2,4,12H2,1H3,(H,13,17,18)/t6-,7-,8+,9+/m1/s1
    • InChI Key： JQTHJBSNTDLZGU-HXFLIBJXSA-N
    • SMILES： O1[C@@H](C[C@H]([C@H]1[C@@H](CO)O)N)N1C(NC(C(C)=C1)=O)=O

Computed Properties

  • Exact Mass: 271.11682065g/mol
  • Monoisotopic Mass: 271.11682065g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 425
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.6
  • Topological Polar Surface Area: 125?2

1-(3-amino-2,3-dideoxy-alpha-D-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione Related Literature

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