CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 202.36 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids] |
| Chemical Classes | Lipids -> Unambiguous Lipids |
COMPUTED DESCRIPTORS
| Molecular Weight | 382.7 g/mol |
|---|---|
| XLogP3 | 11.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 23 |
| Exact Mass | 382.381080833 g/mol |
| Monoisotopic Mass | 382.381080833 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 288 |
| 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
Pentacosanoic acid is a straight-chain saturated fatty acid and a very long-chain fatty acid. It is a conjugate acid of a pentacosanoate.