98112-41-5
Product Name:
BREVETOXIN PBTX-1
Formula:
C49H70O13
Synonyms:
Brevetoxin A solution
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COMPUTED DESCRIPTORS
| Molecular Weight | 867.1 g/mol |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 3 |
| Exact Mass | 866.48164228 g/mol |
| Monoisotopic Mass | 866.48164228 g/mol |
| Topological Polar Surface Area | 147 Ų |
| Heavy Atom Count | 62 |
| Formal Charge | 0 |
| Complexity | 1720 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 22 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Brevetoxin A is a ciguatoxin comprising a linear sequence of ten trans-fused five-, six-, eight- and nine-membered rings.