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Kanamycin B sulfate

CAT: 0024-sc-202680Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-202680Size:250 mg
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CAS Number
29701-07-3

Chemical Information

Bekanamycin Sulfate

Bekanamycin sulfate is an aminoglycoside sulfate salt. It is functionally related to a kanamycin B.

CAS Number29701-07-3
PubChem CID636396
IUPAC Name(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2S,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-diol;sulfuric acid
Molecular FormulaC18H39N5O14S
Molecular Weight581.6
Topological Polar Surface Area371
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity721
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)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N.OS(=O)(=O)O
InChI
InChI=1S/C18H37N5O10.H2O4S/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18;1-5(2,3)4/h4-18,24-29H,1-3,19-23H2;(H2,1,2,3,4)/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+;/m0./s1
InChIKey
YGTPKDKJVZOVCO-KELBJJLKSA-N
Chemical Structure
2D Structure
2D structure of Bekanamycin Sulfate
CAS: 29701-07-3
CID: 636396
Formula: C18H39N5O14S
MW: 581.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.6
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count6
Exact Mass581.22142211
Monoisotopic Mass581.22142211
Topological Polar Surface Area371 Ų
Heavy Atom Count38
Formal Charge0
Complexity721
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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A2516-5.1Kanamycin Sulfate
HY-16566A-01Kanamycin (sulfate)
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