Cas no 72908-95-3 (3',4'-Dideoxyamikacin)

3',4'-Dideoxyamikacin structure
3',4'-Dideoxyamikacin structure
Product Name:3',4'-Dideoxyamikacin
CAS No:72908-95-3
MF:C22H43N5O11
MW:553.603726625443
CID:563703
Update Time:2023-08-02

3',4'-Dideoxyamikacin Chemical and Physical Properties

Names and Identifiers

    • 3',4'-dideoxyamikacin
    • 4)]-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)- (9CI)
    • D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(6-amino-3,4,6-trideoxy-alpha-D-erythro-hexopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, (S)-
    • 4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(6-amino-3,4,6-trideoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanimidic acid
    • 3',4'-Dideoxyamikacin
    • Inchi: 1S/C22H43N5O11/c23-4-3-11(29)20(34)27-10-5-9(25)18(37-21-12(30)2-1-8(6-24)35-21)17(33)19(10)38-22-16(32)14(26)15(31)13(7-28)36-22/h8-19,21-22,28-33H,1-7,23-26H2,(H,27,34)
    • InChI Key: DJLZCFKPWYTEIQ-UHFFFAOYSA-N
    • SMILES: O(C1C(C(C(C(CO)O1)O)N)O)C1C(C(C(CC1NC(C(CCN)O)=O)N)OC1C(CCC(CN)O1)O)O

Computed Properties

  • Exact Mass: 553.296
  • Monoisotopic Mass: 553.296
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 11
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 10
  • Complexity: 757
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 14
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 292

Experimental Properties

  • Density: 1.5
  • Boiling Point: 923.8°C at 760 mmHg
  • Flash Point: 512.5°C
  • Refractive Index: 1.635
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