Cas no 102367-13-5 (D-Streptamine,O-3-amino-3-deoxy-a-D-glucopyranosyl-(1®6)-O-[a-D-glucopyranosyl-(1®4)]-2-deoxy-N3-methyl- (9CI))

D-Streptamine,O-3-amino-3-deoxy-a-D-glucopyranosyl-(1®6)-O-[a-D-glucopyranosyl-(1®4)]-2-deoxy-N3-methyl- (9CI) structure
102367-13-5 structure
Product Name:D-Streptamine,O-3-amino-3-deoxy-a-D-glucopyranosyl-(1®6)-O-[a-D-glucopyranosyl-(1®4)]-2-deoxy-N3-methyl- (9CI)
CAS No:102367-13-5
MF:C19H37N3O12
MW:499.509986639023
CID:181989
PubChem ID:71301203
Update Time:2025-04-19

D-Streptamine,O-3-amino-3-deoxy-a-D-glucopyranosyl-(1®6)-O-[a-D-glucopyranosyl-(1®4)]-2-deoxy-N3-methyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • (2S,3R,4S,5S,6R)-2-[(1R,2R,3S,4R,6S)-4-amino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(methylamino)cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • 4)]-2-deoxy-N3-methyl- (9CI)
    • 102367-13-5
    • DTXSID20144955
    • 6'-Deamino-6'-hydroxy-1-N-methylkanamycin
    • 1-N-Methyl-6'-deaminokanamycin
    • D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-4)-N(sup 3)-methyl-
    • D-Streptamine,O-3-amino-3-deoxy-a-D-glucopyranosyl-(1®6)-O-[a-D-glucopyranosyl-(1®4)]-2-deoxy-N3-methyl- (9CI)
    • Inchi： 1S/C19H37N3O12/c1-22-6-2-5(20)16(33-18-12(27)9(21)10(25)7(3-23)31-18)15(30)17(6)34-19-14(29)13(28)11(26)8(4-24)32-19/h5-19,22-30H,2-4,20-21H2,1H3/t5-,6+,7-,8-,9+,10-,11-,12-,13+,14-,15-,16+,17-,18-,19-/m1/s1
    • InChI Key： WJEJVOYEUBLWHX-IZNBIVGASA-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@H]([C@@H]([C@@H](CO)O1)O)O)O)NC)N

Computed Properties

  • Exact Mass: 499.237724g/mol
  • Monoisotopic Mass: 499.237724g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 7
  • Complexity: 652
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 15
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 499.5g/mol
  • XLogP3: -6.2
  • Topological Polar Surface Area: 263?2

Experimental Properties

  • PSA: 262.83000
  • LogP: -5.20560

D-Streptamine,O-3-amino-3-deoxy-a-D-glucopyranosyl-(1®6)-O-[a-D-glucopyranosyl-(1®4)]-2-deoxy-N3-methyl- (9CI) Related Literature

Related Categories

102367-13-5 (D-Streptamine,O-3-amino-3-deoxy-a-D-glucopyranosyl-(1®6)-O-[a-D-glucopyranosyl-(1®4)]-2-deoxy-N3-methyl- (9CI)) Related Products

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