neomycin

(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol

CAS: 1404-04-2

Molecular Formula	`C23H46N6O13`
Molecular Weight	614.6 g/mol
LogP	-9.0
Topological Polar Surface Area	353.0 A2
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	19
Rotatable Bonds	9
Exact Mass	614.31226
Heavy Atoms	42
Complexity	872.0

Chemical Identifiers

CAS Number	1404-04-2
SMILES	`C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N`
InChIKey	`PGBHMTALBVVCIT-VCIWKGPPSA-N`

📖 Product Overview

neomycin (CAS: 1404-04-2) is a chemical compound with molecular formula C23H46N6O13 and molecular weight 614.6 g/mol. Its IUPAC systematic name is (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol. LogP -9.0 Topological Polar Surface Area 353.0 A2 Hydrogen Bond Donors 13 Hydrogen Bond Acceptors 19 Rotatable Bonds 9 Exact Mass 614.31226 Heavy Atoms 42 Complexity 872.0 InChI Key: PGBHMTALBVVCIT-VCIWKGPPSA-N. SMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N.

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