Cas no 93965-12-9 (Dibekacin bis(sulphate))

Dibekacin bis(sulphate) structure
Dibekacin bis(sulphate) structure
Product Name:Dibekacin bis(sulphate)
CAS No:93965-12-9
MF:C18H41N5O16S2
MW:647.672043561935
CID:818054
PubChem ID:56841318
Update Time:2025-04-19

Dibekacin bis(sulphate) Chemical and Physical Properties

Names and Identifiers

    • Dibekacin bis(sulphate)
    • (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6S)-4,6-diamino-3-[(3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol,sulfuric acid
    • DIBEKACIN SULFATE
    • (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6S)-4,6-diamino-3-[(3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;sulfuric acid
    • DTXSID30240013
    • 93965-12-9
    • EINECS 300-960-3
    • Inchi： 1S/C18H37N5O8.2H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;2*1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;2*(H2,1,2,3,4)/t6-,7+,8-,9-,10+,11-,12+,13+,14-,15+,16-,17?,18+;;/m0../s1
    • InChI Key： YCYKGZPMQKHUBU-UKFMNSQMSA-N
    • SMILES： S(=O)(=O)(O)O.S(=O)(=O)(O)O.O([C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)N)O)[C@H]1[C@H](C[C@@H]([C@H]([C@@H]1O)OC1[C@@H](CC[C@@H](CN)O1)N)N)N

Computed Properties

  • Exact Mass: 647.19897258g/mol
  • Monoisotopic Mass: 647.19897258g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 13
  • Hydrogen Bond Acceptor Count: 21
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 6
  • Complexity: 660
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 12
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 414?2

Dibekacin bis(sulphate) Security Information

Dibekacin bis(sulphate) Related Literature

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