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Kanamycin acid sulfate

CAT: 0063-24757506Size: 5 gDry Ice: NoHazardous: No
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CAS Number
64013-70-3

Chemical Information

Kanamycin acid sulfate
CAS Number64013-70-3
PubChem CID24721551
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 FormulaC18H40N4O19S2
Molecular Weight680.7
Topological Polar Surface Area449
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count23
Rotatable Bond Count6
Heavy Atom Count43
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.OS(=O)(=O)O
InChI
InChI=1S/C18H36N4O11.2H2O4S/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;2*1-5(2,3)4/h4-18,23-29H,1-3,19-22H2;2*(H2,1,2,3,4)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-;;/m1../s1
InChIKey
OGTKIXVMLDAMNU-KNQICTBBSA-N
Chemical Structure
2D Structure
2D structure of Kanamycin acid sulfate
CAS: 64013-70-3
CID: 24721551
Formula: C18H40N4O19S2
MW: 680.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight680.7
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count23
Rotatable Bond Count6
Exact Mass680.17281741
Monoisotopic Mass680.17281741
Topological Polar Surface Area449 Ų
Heavy Atom Count43
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 Count3
Compound Is CanonicalizedYes