NEOMYCIN PALMITATE

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Keyword(s): Human Neurotoxin
Molecule Category Salt-form
UNII 3I9J454G9F
EPA CompTox DTXSID80203810

Structure

InChI Key RZXTUCFALKTJJO-WQDIDPJDSA-N
Smiles CCCCCCCCCCCCCCCC(O)=O.NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C23H46N6O13.C16H32O2/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-23,30-36H,1-4,24-29H2;2-15H2,1H3,(H,17,18)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C39H78N6O15
Molecular Weight 870.55
AlogP -3.34
Hydrogen Bond Acceptor 20.0
Hydrogen Bond Donor 14.0
Number of Rotational Bond 23.0
Polar Surface Area 390.41
Heavy Atoms 60.0

Cross References

Resources Reference
CAS NUMBER 55298-68-5
NORMAN SUSDAT
FDA SRS 3I9J454G9F
CONTENTS