| CAS Number | 24435-25-4 |
| Catalog Number | AG00CCOM(AGN-PC-0O86RL) |
| Chemical Name | Oleoyl Ethanolamide Phosphate |
| IUPAC Name | 2-[[(Z)-octadec-9-enoyl]amino]ethyl dihydrogen phosphate |
| InChI | InChI=1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H2,23,24,25)/b10-9- |
| InChI Key | BCSUWOZFWWBYSX-KTKRTIGZSA-N |
| MDL Number | MFCD06798344 |
| Molecular Formula | C20H40NO5P |
| Molecular Weight | 405.5091 |
| SMILES | OP(OCCNC(CCCCCCC/C=CCCCCCCCC)=O)(O)=O |
| Synonyms | NAEPA,
CHEMBL117754,
24435-25-4,
(Z)-N-[2-(Phosphonooxy)ethyl]-9-octadecenamide,
SCHEMBL13109914,
AOB5908,
BDBM50074700,
MFCD06798344,
ZINC38153251,
AKOS032946464,
J-015527,
Phosphoric acid mono-[2-((Z)-octadec-9-enoylamino)-ethyl] ester,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 405.264g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.516g/mol |
| Monoisotopic Mass | 405.264g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number