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Kanamycin A Monosulfate

CAT: 0024-sc-205358ASize: 5 gDry Ice: NoHazardous: No
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CAS Number
25389-94-0

Chemical Information

Kanamycin A Sulfate

Kanamycin A sulfate is an aminoglycoside sulfate salt. It has a role as a geroprotector and an antibacterial drug. It contains a kanamycin A.

CAS Number25389-94-0
PubChem CID441374
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;sulfuric acid
Molecular FormulaC18H38N4O15S
Molecular Weight582.6
Topological Polar Surface Area366
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity720
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.OS(=O)(=O)O
InChI
InChI=1S/C18H36N4O11.H2O4S/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;1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;/m1./s1
InChIKey
OOYGSFOGFJDDHP-KMCOLRRFSA-N
Chemical Structure
2D Structure
2D structure of Kanamycin A Sulfate
CAS: 25389-94-0
CID: 441374
Formula: C18H38N4O15S
MW: 582.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.6
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count19
Rotatable Bond Count6
Exact Mass582.20543769
Monoisotopic Mass582.20543769
Topological Polar Surface Area366 Ų
Heavy Atom Count38
Formal Charge0
Complexity720
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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