Products 254117-01-6

CAS 254117-01-6 appears in our catalog under these names: C12 NBD Sphingomyelin, 99.0%, C12-nbd sphingomyelin. Offered by: MedChemExpress, Sigma-Aldrich. Available pack sizes: 100 μg, 1MG.

Structural formula: {0} (CAS {1})

[(E,2S,3R)-3-hydroxy-2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate (CAS 254117-01-6) is a chemical compound with the molecular formula C41H73N6O9P and a molecular weight of 825.0 g/mol. IUPAC name: [(E,2S,3R)-3-hydroxy-2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate. InChIKey: FCQMKLRMKNYONQ-YPGNEAGUSA-N.

Identity
Molecular formulaC41H73N6O9P
Molecular weight825.0 g/mol
IUPAC name[(E,2S,3R)-3-hydroxy-2-[12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoylamino]octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
InChIKeyFCQMKLRMKNYONQ-YPGNEAGUSA-N
SMILESCCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O

Computed by PubChem (NCBI)