59403-51-9
Product Name:
1-PALMITOYL-2-STEAROYL-SN-GLYCERO-3-PHOSPHOCHOLINE
Formula:
C42H84NO8P
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 290.32 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] 295.4 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Ambiguous Lipids] |
| Chemical Classes | Lipids -> Ambiguous Lipids |
COMPUTED DESCRIPTORS
| Molecular Weight | 762.1 g/mol |
|---|---|
| XLogP3 | 14.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 42 |
| Exact Mass | 761.59345564 g/mol |
| Monoisotopic Mass | 761.59345564 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 857 |
| 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
1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 34:0 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and octadecanoyl (stearoyl) respectively. It has a role as a mouse metabolite. It is functionally related to a hexadecanoic acid and an octadecanoic acid.