CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 236.76 Ų [M-H]- [CCS Type: TIMS, Method: single field calibrated] |
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Kovats Retention Index | 3922.1 |
COMPUTED DESCRIPTORS
Molecular Weight | 563.0 g/mol |
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XLogP3 | 17.5 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 35 |
Exact Mass | 562.56888160 g/mol |
Monoisotopic Mass | 562.56888160 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 40 |
Formal Charge | 0 |
Complexity | 498 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Arachidyl oleate is a wax ester obtained by the formal condensation of icosan-1-ol with oleic acid. It is functionally related to an oleic acid and an icosan-1-ol.