CAS 94885-04-8 appears in our catalog under these names: 6-((N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)-hexanoyl)sphingosylphosphocholine, 95%, C6 NBD Sphingomyelin (d18：1/6：0), C6-NBD SPHINGOMYELIN, C6 NBD Sphingomyelin, 98.0%. Offered by: Chemat Brand, GLPBio, Sigma-Aldrich, MedChemExpress. Available pack sizes: on request, 1mg, 500 μg, 100 μg.
[(E,2S,3R)-3-hydroxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate (CAS 94885-04-8) is a chemical compound with the molecular formula C35H61N6O9P and a molecular weight of 740.9 g/mol. IUPAC name: [(E,2S,3R)-3-hydroxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate. InChIKey: YDBDYTGWMRUUSN-PERJAUJZSA-N.
| Molecular formula | C35H61N6O9P |
|---|---|
| Molecular weight | 740.9 g/mol |
| IUPAC name | [(E,2S,3R)-3-hydroxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate |
| InChIKey | YDBDYTGWMRUUSN-PERJAUJZSA-N |
| SMILES | CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O |
Computed by PubChem (NCBI)