Chemical compound
Tetrodotoxin
(1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol
C11H17N3O8
SMILES
C([C@@]1([C@H]2[C@@H]3[C@H](N=C(N[C@@]34[C@@H]([C@@H]1O[C@]([C@H]4O)(O2)O)O)N)O)O)O
Properties
- Formula
- C11H17N3O8
- Molecular weight
- 319.27 g/mol
- PubChem CID
- 11174599
- InChIKey
- CFMYXEVWODSLAX-QOZOJKKESA-N
- XLogP
- -5.9
- TPSA
- 190 Ų
- H-bond donors
- 8
- H-bond acceptors
- 9