Tetrodotoxin, 4,9-anhydro-, 8,8-diacetate
[(2S,3R,4S,11S,12R)-2-acetyloxy-7-amino-4,12-dihydroxy-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-en-2-yl]methyl acetate
Also Known As: Diacetylanhydrotetrodotoxin|6,11-Diacetylanhydrotetrodotoxin|Epitetrodotoxin, anhydro-, diacetate|Tetrodotoxin, 4,9-anhydro-, 8,8-diacetate|Tetrodotoxin, 4,9-dideoxy-4,9-epoxy-, 6,11-diacetate, (4-beta,9-beta)-
| Molecular Formula | C15H19N3O9 |
|---|---|
| Molecular Weight | 385.11212 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.11212 |
| Monoisotopic Mass | 385.11212 |
| Heavy Atoms | 27 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 13285-84-2 |
|---|---|
| SMILES | CC(=O)OC[C@]1([C@H]2[C@H](C34[C@H]5[C@](O2)(OC1C3C(O5)N=C(N4)N)O)O)OC(=O)C |
| InChIKey | WNFMBRACPHYMJX-JAIQPURXSA-N |
Product Overview
Tetrodotoxin, 4,9-anhydro-, 8,8-diacetate (CAS 13285-84-2), with molecular formula C15H19N3O9 and molecular weight 385.11212 g/mol. IUPAC: [(2S,3R,4S,11S,12R)-2-acetyloxy-7-amino-4,12-dihydroxy-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.13,12.05,11.05,14]pentadec-7-en-2-yl]methyl acetate.
Tetrodotoxin, 4,9-anhydro-, 8,8-diacetate is a custom synthesis product. We offer services from milligram to kilogram scale.
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