CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid; [Aldrich MSDS] |
|---|---|
| Collision Cross Section | 253 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine] |
| Chemical Classes | Biological Agents -> Mycotoxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H300:Acute toxicity,oral |
COMPUTED DESCRIPTORS
| Molecular Weight | 634.2 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 633.2857158 g/mol |
| Monoisotopic Mass | 633.2857158 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1420 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 13 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Penitrem A is an organooxygen compound and an organic heterotricyclic compound.