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Dibekacin

CAT: 0013-GTR19200364-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200364-02Size:50 mg
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Description
Dibekacin
CAS Number
34493-98-6
Field of Research
Pharmacology & Drug Discovery
Smiles
NC[C@@H]1CC[C@@H] (N) [C@@H] (O[C@@H]2[C@@H] (N) C[C@@H] (N) [C@H] (O[C@H]3O[C@H] (CO) [C@@H] (O) [C@H] (N) [C@H]3O) [C@H]2O) O1
Molecular Formula
C18H37N5O8
Molecular Weight
451.521
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dibekacin

Dibekacin is a kanamycin that is kanamycin B lacking the 3- and 4-hydroxy groups on the 2,6-diaminosugar ring. It has a role as an antibacterial agent and a protein synthesis inhibitor. It is functionally related to a kanamycin B.

CAS Number34493-98-6
PubChem CID470999
IUPAC Name(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
Molecular FormulaC18H37N5O8
Molecular Weight451.5
XLogP-5.8
Topological Polar Surface Area248
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity579
SMILES
C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N)N)N
InChI
InChI=1S/C18H37N5O8/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/h6-18,24-27H,1-5,19-23H2/t6-,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey
JJCQSGDBDPYCEO-XVZSLQNASA-N
Chemical Structure
2D Structure
2D structure of Dibekacin
CAS: 34493-98-6
CID: 470999
Formula: C18H37N5O8
MW: 451.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.5
XLogP3-5.8
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass451.26421316
Monoisotopic Mass451.26421316
Topological Polar Surface Area248 Ų
Heavy Atom Count31
Formal Charge0
Complexity579
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
RM-D093500-01Dibekacin
AD32509-01Dibekacin sulfate

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