Cas no 136035-14-8 (1-(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione)

1-(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione structure
136035-14-8 structure
Product Name:1-(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
CAS No:136035-14-8
MF:C11H17N3O4
MW:255.270382642746
CID:1239752
PubChem ID:3000339
Update Time:2025-04-20

1-(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione Chemical and Physical Properties

Names and Identifiers

    • 1-(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
    • 1-[(2R,4S,5R)-4-amino-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
    • 1-(3-Amino-2,3,6-trideoxy-alpha-L-arabino-hexofuranosyl)thymine
    • 1-(3-Amino-2,3,6-trideoxy-.alpha.-L-arabino-hexofuranosyl)thymine
    • 2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexofuranosyl)-5-methyl-
    • 136035-14-8
    • 1-[(2R,4S,5R)-4-amino-5-[(1S)-1-hydroxyethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
    • 2,4(1H,3H)-Pyrimidinedione, 1-(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexofuranosyl)-5-methyl-
    • Amino nucleoside
    • Inchi： 1S/C11H17N3O4/c1-5-4-14(11(17)13-10(5)16)8-3-7(12)9(18-8)6(2)15/h4,6-9,15H,3,12H2,1-2H3,(H,13,16,17)/t6-,7-,8+,9-/m0/s1
    • InChI Key： FAXNJWRNLCWHMW-MAUMQABQSA-N
    • SMILES： O1[C@H](C[C@@H]([C@@H]1[C@H](C)O)N)N1C(NC(C(C)=C1)=O)=O

Computed Properties

  • Exact Mass: 255.122
  • Monoisotopic Mass: 255.122
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 409
  • 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: _0.6
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • Density: 1.33
  • Refractive Index: 1.563

1-(3-amino-2,3,6-trideoxy-alpha-L-arabino-hexofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione Related Literature

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