CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White to yellow powder or wax-like substance; Stearates are salts of octadecanoic acid; [ACGIH] |
|---|---|
| Collision Cross Section | 177.1 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
| Chemical Classes | Other Classes -> Stearates |
COMPUTED DESCRIPTORS
| Molecular Weight | 283.5 g/mol |
|---|---|
| XLogP3 | 8.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 15 |
| Exact Mass | 283.263705355 g/mol |
| Monoisotopic Mass | 283.263705355 g/mol |
| Topological Polar Surface Area | 40.1 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | -1 |
| Complexity | 196 |
| 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
Octadecanoate is a fatty acid anion 18:0 that is the conjugate base of octadecanoic acid (stearic acid). Stearates have a variety of uses in the pharmaceutical industry. It has a role as a human metabolite, a plant metabolite and a Saccharomyces cerevisiae metabolite. It is a long-chain fatty acid anion, a straight-chain saturated fatty acid anion, a fatty acid anion 18:0 and a 2-saturated fatty acid anion. It is a conjugate base of an octadecanoic acid.