Dibekacin sulfate structure

Dibekacin sulfate

4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;sulfuric acid

Also Known As: Dibekacin sulfate|dibekacin|Panimycin|DKB sulfate|AC1L2HQI|Dibekacin sulphate (1:1)|3',4'-Dideoxykanamycin B sulfate|EINECS 264-651-4|KANAMYCIN B, 3',4'-DIDEOXY-, SULFATE|(2R,3r,4s,5s,6r)-4-amino-2-[(1s,2s,3r,4s,6r)-4,6-diamino-3-[(2r,3r,6s)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxy-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol sulfate|4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol; sulfuric acid|Sulfuric acid--4,6-diamino-3-[(3-amino-3-deoxyhexopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxyhexopyranoside (1/1)

CAS: 58580-55-5
Molecular Formula C18H39N5O12S
Molecular Weight 549.23157 g/mol
LogP -5.92
Topological Polar Surface Area 322.54 Ų
Hydrogen Bond Donors 11
Hydrogen Bond Acceptors 15
Rotatable Bonds 6
Exact Mass 549.23157
Heavy Atoms 36
Complexity 773.6

Chemical Identifiers

CAS Number 58580-55-5
SMILES C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)N)N)N.OS(=O)(=O)O

Product Overview

Dibekacin sulfate (CAS 58580-55-5), with molecular formula C18H39N5O12S and molecular weight 549.23157 g/mol. IUPAC: 4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;sulfuric acid.

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