CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Liquid, Other Solid |
|---|---|
| Boiling Point | 363.00 to 364.00 °C. @ 760.00 mm Hg |
| Melting Point | 61.3 °C |
| Solubility | 4.2 mg/L @ 25 °C (exp) |
| Collision Cross Section | 173.21 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids] |
| Kovats Retention Index | 2038 2039 2038 2039 2047 2044 2059 351.5 351.7 |
| Chemical Classes | Lipids -> Unambiguous Lipids |
COMPUTED DESCRIPTORS
| Molecular Weight | 270.5 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 15 |
| Exact Mass | 270.255880323 g/mol |
| Monoisotopic Mass | 270.255880323 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 190 |
| 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
Heptadecanoic acid is a C17 saturated fatty acid and trace component of fats in ruminants. It has a role as a mammalian metabolite, a Daphnia magna metabolite and an algal metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a margarate.