CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 204.58 Ų [M-H]- [CCS Type: TIMS, Method: single field calibrated] |
| Chemical Classes | UVCB |
COMPUTED DESCRIPTORS
| Molecular Weight | 410.7 g/mol |
|---|---|
| XLogP3 | 12.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 25 |
| Exact Mass | 410.412380961 g/mol |
| Monoisotopic Mass | 410.412380961 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 314 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Heptacosanoic acid is a C27, very long straight-chain, saturated fatty acid. It has a role as a plant metabolite. It is a very long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a heptacosanoate.