4,9-Anhydrotetrodotoxin
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4,9-Anhydrotetrodotoxin
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CAS No:
13072-89-4
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Formula:
C11H15N3O7
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Chemical Name:
4,9-Anhydrotetrodotoxin
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Synonyms:
6,10-Epoxy-4,8,11a-metheno-11aH-oxocino[4,3-f][1,3,5]oxadiazepine-6,9,11-triol,2-amino-1,4,5a,6,8,9,10,11-octahydro-9-(hydroxymethyl)-,(4S,5aS,6S,8R,9S,10S,11S,11aR,12R)-;Tetrodotoxin,4,9-anhydro-;Tetrodotoxin,4,9-dideoxy-4,9-epoxy-,(4β,9β)-;Tetrodotoxin,anhydro-;(4S,5aS,6S,8R,9S,10S,11S,11aR,12R)-2-Amino-1,4,5a,6,8,9,10,11-octahydro-9-(hydroxymethyl)-6,10-epoxy-4,8,11a-metheno-11aH-oxocino[4,3-f][1,3,5]oxadiazepine-6,9,11-triol;4,9-Anhydrotetrodotoxin;Anhydrotetrodotoxin;Anhydroepitetrodotoxin;2054-43-5;7724-36-9;16998-61-1;17289-89-3;4693-22-5;875219-28-6
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CAS No:
Computed Properties
Molecular Weight:301.25
XLogP3:-4.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:301.09099983
Monoisotopic Mass:301.09099983
Topological Polar Surface Area:159
Heavy Atom Count:21
Complexity:574
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes