25597-09-5
Product Name:
STEAROYL-L-CARNITINE
Formula:
C25H49NO4
Synonyms:
(2R)-3-Carboxy-N,N,N-trimethyl-2-[(1-oxooctadecyl)oxy]-1-propanaminium inner salt;L -Carnitine octadecanoyl ester;C18-Carnitine;Octadecanoyl-L -carnitine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 221.1 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 427.7 g/mol |
|---|---|
| XLogP3 | 8.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 21 |
| Exact Mass | 427.36615904 g/mol |
| Monoisotopic Mass | 427.36615904 g/mol |
| Topological Polar Surface Area | 66.4 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 426 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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
O-octadecanoyl-L-carnitine is an O-acyl-L-carnitine in which the acyl group is specified as stearoyl (octadecanoyl). It has a role as a human metabolite. It is functionally related to an octadecanoic acid.