| CAS Number | 81480-40-2 |
| Catalog Number | AG00G4WM(AGN-PC-0UJFGG) |
| Chemical Name | OLEIC ACID N-HYDROXYSUCCINIMIDE ESTER |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) (Z)-octadec-9-enoate |
| InChI | InChI=1S/C22H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)27-23-20(24)18-19-21(23)25/h9-10H,2-8,11-19H2,1H3/b10-9- |
| InChI Key | MAKGRQMFNNEEKW-KTKRTIGZSA-N |
| MDL Number | MFCD00133696 |
| Molecular Formula | C22H37NO4 |
| Molecular Weight | 379.5335 |
| SMILES | O=C(ON1C(CCC1=O)=O)CCCCCCC/C=CCCCCCCCC |
| Synonyms | Oleic Acid N-Hydroxysuccinimide,
Oleic-NHS ester,
succinimidyl oleate,
81480-40-2,
Oleic acid succinimidyl ester,
SCHEMBL2779347,
ZINC60329216,
AKOS024374978,
BP-23315,
2,5-dioxoazolidinyl (9Z)octadec-9-enoate,
ST51015089,
(2,5-Dioxopyrrolidin-1-yl) (Z)-octadec-9-enoate,
|
| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 379.272g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.541g/mol |
| Monoisotopic Mass | 379.272g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number