Structural formula of N-Heptadecanoylsphingosyl-phosphorylcholine

N-Heptadecanoylsphingosyl-phosphorylcholine

Product number: 56-1078
CAS number: 121999-64-2
Synonyms: 3,5-Dioxa-8-aza-4-phosphapentacosan-1-aminium, 4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecenyl]-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (7S)-, SM (d18:1/17:0), (7S)-4-Hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphapentacosan-1-aminium inner salt 4-oxide, Sphingomyelin d17:0/18:1, 3,5-Dioxa-8-aza-4-phosphapentacosan-1-aminium, 4-hydroxy-7-(1-hydroxy-2-hexadecenyl)-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, [R-[R*,S*-(E)]]-

Identifiers

CAS Index Name: 3,5-Dioxa-8-aza-4-phosphapentacosan-1-aminium, 4-hydroxy-7-[(1R,2E)-1-hydroxy-2-hexadecen-1-yl]-N,N,N-trimethyl-9-oxo-, inner salt, 4-oxide, (7S)-
Molecular formula: C40H81N2O6P
Molecular weight: 717.06
Smiles: O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
Isomeric Smiles: C(NC(CCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)(=O)[O-])C(C=CCCCCCCCCCCCCC)O
InChI: InChI=1S/C40H81N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40(44)41-38(37-48-49(45,46)47-36-35-42(3,4)5)39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,38-39,43H,6-30,32,34-37H2,1-5H3,(H-,41,44,45,46)/b33-31+/t38-,39+/m0/s1
InChIKey: InChIKey=YMQZQHIESOAPQH-JXGHDCMNSA-N

Product information

Purity: >98%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Ask for MSDS

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56-1078-4N-Heptadecanoylsphingosyl-phosphorylcholine - 5 mg510.00