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Kanamycin A

CAT: 0127-BUP17386-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17386-02Size:500 mg
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CAS Number
59-01-8
Synonyms
KanamycinA, Kantrex, Kanamycin
Purity
=98%
Smiles
O([C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](N)C[C@H]1N)[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O

Chemical Information

Kanamycin

Kanamycin A is a member of kanamycins. It has a role as a bacterial metabolite. It is a conjugate base of a kanamycin A(4+).

CAS Number59-01-8
PubChem CID6032
IUPAC Name(2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
Molecular FormulaC18H36N4O11
Molecular Weight484.5
XLogP-6.9
Topological Polar Surface Area283
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity638
SMILES
C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)N)O)N
InChI
InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
InChIKey
SBUJHOSQTJFQJX-NOAMYHISSA-N
Chemical Structure
2D Structure
2D structure of Kanamycin
CAS: 59-01-8
CID: 6032
Formula: C18H36N4O11
MW: 484.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
XLogP3-6.9
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass484.23805798
Monoisotopic Mass484.23805798
Topological Polar Surface Area283 Ų
Heavy Atom Count33
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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