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Bekanamycin

CAT: 0127-OR1026664-03Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1026664-03Size:5 g
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CAS Number
4696-76-8
Synonyms
(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
Purity
98%
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

Chemical Information

Kanamycin B

Kanamycin B is a member of kanamycins. It is a conjugate base of a kanamycin B(5+).

CAS Number4696-76-8
PubChem CID439318
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
Molecular FormulaC18H37N5O10
Molecular Weight483.5
XLogP-7.2
Topological Polar Surface Area288
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity639
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
InChI
InChI=1S/C18H37N5O10/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/h4-18,24-29H,1-3,19-23H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1
InChIKey
SKKLOUVUUNMCJE-FQSMHNGLSA-N
Chemical Structure
2D Structure
2D structure of Kanamycin B
CAS: 4696-76-8
CID: 439318
Formula: C18H37N5O10
MW: 483.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.5
XLogP3-7.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass483.25404239
Monoisotopic Mass483.25404239
Topological Polar Surface Area288 Ų
Heavy Atom Count33
Formal Charge0
Complexity639
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

Alternative Products

CatalogName
MBS5758941Bekanamycin
HY-B1174R-01Bekanamycin (Standard)
558071Bekanamycin sulfate
HY-B1174ABekanamycin (sulfate)
A18158-100Bekanamycin 100mg
A18158-50Bekanamycin 50mg
414209Bekanamycin Free Base

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