CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 229.8 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
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COMPUTED DESCRIPTORS
Molecular Weight | 495.6 g/mol |
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XLogP3 | 5.6 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 24 |
Exact Mass | 495.33248993 g/mol |
Monoisotopic Mass | 495.33248993 g/mol |
Topological Polar Surface Area | 105 Ų |
Heavy Atom Count | 33 |
Formal Charge | 0 |
Complexity | 517 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
1-Palmitoylphosphatidylcholine is a natural product found in Perna canaliculus and Asparagus officinalis with data available.