13053-57-1
Product Name:
N-HEXADECANOYL-D-SPHINGOSINE-1-PHOSPHOCHOLINE
Formula:
C39H79N2O6P
Synonyms:
(2S,3R,4E)-2-(Palmitoylamino)-4-octadecene-3-hydroxy-1-phosphocholine;N-(Hexadecanoyl)-sphing-4-enine-1-phosphocholine;N-Palmitoyl-D -erythro-sphingosylphosphorylcholine;16:0 SM (d18:1/16:0);C16 Sphingomyelin
Inquiry
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 |