6254-89-3
Product Name:
N-PALMITOYL-D-SPHINGOMYELIN
Formula:
C39H79N2O6P
Synonyms:
N-palmitoyl-D-erythro-sphingosylphosphorylcholine
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 283.26 Ų [M+HCOO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Sphingolipids] 287.25 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Sphingolipids] |
| Chemical Classes | Lipids -> Sphingolipids |
COMPUTED DESCRIPTORS
| Molecular Weight | 703.0 g/mol |
|---|---|
| XLogP3 | 12.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 36 |
| Exact Mass | 702.56757524 g/mol |
| Monoisotopic Mass | 702.56757524 g/mol |
| Topological Polar Surface Area | 108 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 796 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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
N-hexadecanoylsphingosine-1-phosphocholine is a sphingomyelin 34:1 in which the N-acyl group and sphingoid base are specified as hexadecanoyl and sphingosine respectively. It has a role as a mouse metabolite. It is functionally related to a hexadecanoic acid.