CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 235.1 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 631.7 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 10 |
| Exact Mass | 631.29926125 g/mol |
| Monoisotopic Mass | 631.29926125 g/mol |
| Topological Polar Surface Area | 153 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1200 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 14 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Mesaconitine is a diterpenoid.