Cas no 65566-75-8 (3'-Deoxykanamycin C)

3'-Deoxykanamycin C structure
3'-Deoxykanamycin C structure
Product Name:3'-Deoxykanamycin C
CAS No:65566-75-8
MF:C18H36N4O10
MW:468.499245643616
CID:962119
PubChem ID:163090
Update Time:2024-03-01

3'-Deoxykanamycin C Chemical and Physical Properties

Names and Identifiers

    • 3'-deoxykanamycin C
    • (1S,2S,3R,4S,6R)-4,6-Diamino-3-[(2-amino-2,3-dideoxy-α-D-ribo-hex opyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-α-D-glucopyra noside
    • Antibiotic 535
    • 3'-Desoxykanamycin C
    • Kanamycin C, 3'-deoxy-
    • D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2-amino-2,3-dideoxy-alpha-D-ribo-hexopyranosyl-(1-4))-2-deoxy-
    • 4,6-Diamino-3-[(3-amino-3-deoxyhexopyranosyl)oxy]-2-hydroxycyclohexyl 2-amino-2,3-dideoxyhexopyranoside
    • 3'-Deoxykanamycin C
    • Inchi： 1S/C18H36N4O10/c19-5-1-6(20)16(32-18-13(27)11(22)12(26)10(4-24)30-18)14(28)15(5)31-17-7(21)2-8(25)9(3-23)29-17/h5-18,23-28H,1-4,19-22H2/t5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
    • InChI Key： IDSYVBBNVYBBAF-PBSUHMDJSA-N
    • SMILES： 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)O[C@@H]1[C@@H](C[C@@H]([C@@H](CO)O1)O)N)N)N

Computed Properties

  • Exact Mass: 468.24314336g/mol
  • Monoisotopic Mass: 468.24314336g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 14
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 6
  • Complexity: 608
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 262
  • XLogP3: -6

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