Kanamycin monopantothenate

(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;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid

Also Known As: Kanamycin monopantothenate|Kanamycin, mono-D-pantothenate (salt)|Kanamycin, mono-D-pantothenate (salt) (8CI)|beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-, compd. with O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1-4))-2-deoxy-D-streptamine (1:1)|(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; 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid|N-(1,2,4-Trihydroxy-3,3-dimethylbutylidene)-beta-alanine--4,6-diamino-3-[(6-amino-6-deoxyhexopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxyhexopyranoside (1/1)|N-[(2R)-1,2,4-Trihydroxy-3,3-dimethylbutylidene]-beta-alanine--(1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside (1/1)

Molecular Formula	C27H53N5O16
Molecular Weight	703.34875 g/mol
LogP	-8.3347
Topological Polar Surface Area	389.0 Ų
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	20
Rotatable Bonds	12
Exact Mass	703.34875
Monoisotopic Mass	703.34875
Heavy Atoms	48
Complexity	877.0

Chemical Identifiers

CAS Number	17899-71-7
SMILES	CC(C)(CO)[C@H](C(=O)NCCC(=O)O)O.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
InChIKey	WJZXFAPKSJNIPW-FWTPEUPTSA-N