Cas no 206269-46-7 (4-amino-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one)

4-amino-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one structure
206269-46-7 structure
Product Name:4-amino-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one
CAS No:206269-46-7
MF:C8H12N4O5
MW:244.204681396484
CID:4729052
Update Time:2023-08-16

4-amino-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one Chemical and Physical Properties

Names and Identifiers

    • L-5-Azacytidine
    • L-.beta.-Ribofuranosyl-5-azacytosine
    • 4-amino-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
    • 4-Amino-1-beta-L-ribofuranosyl-1,3,5-triazine-2(1H)-one
    • 4-Amino-1-((2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one
    • 4-amino-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one
    • Inchi: 1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m0/s1
    • InChI Key: NMUSYJAQQFHJEW-BXKVDMCESA-N
    • SMILES: O1[C@@H]([C@H]([C@H]([C@@H]1CO)O)O)N1C=NC(N)=NC1=O

Computed Properties

  • Exact Mass: 244.08076950 g/mol
  • Monoisotopic Mass: 244.08076950 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 384
  • 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
  • Molecular Weight: 244.20
  • XLogP3: -2.2
  • Topological Polar Surface Area: 141
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