C12 NBD Sphingomyelin

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C12 NBD Sphingomyelin

C12 NBD Sphingomyelin

Catalog Number A16-0043
Category Lipid Fluorescent Probes
Molecular Formula C41H73N6O9P
Molecular Weight 825.0
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Product Introduction

C12 NBD sphingomyelin is a sphingomyelin derivative that is tagged with a fluorescent group C12 nitrobenzoxadiazole (C12 NBD). Sphingomyelin naturally exists in mammalian cell membranes, especially membranes of the myelin sheath. C12 NBD sphingomyelin has been used to study the metabolism and transport of sphingomyelins.

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

Synonyms N-dodecanoyl-NBD Sphingosylphosphorylcholine; (E)-3-hydroxy-2-(12-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)dodecanamido)octadec-4-en-1-yl (2-(trimethylammonio)ethyl) phosphate
Purity ≥98%
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
Canonical SMILES CCCCCCCCCCCCCC=CC(C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O
InChI InChI=1S/C41H73N6O9P/c1-5-6-7-8-9-10-11-12-13-15-18-21-24-27-38(48)36(34-55-57(52,53)54-33-32-47(2,3)4)43-39(49)28-25-22-19-16-14-17-20-23-26-31-42-35-29-30-37(46(50)51)41-40(35)44-56-45-41/h24,27,29-30,36,38,48H,5-23,25-26,28,31-34H2,1-4H3,(H2-,42,43,45,49,52,53)/b27-24+/t36-,38+/m0/s1
InChIKey FCQMKLRMKNYONQ-YPGNEAGUSA-N
Appearance Solid Powder
Storage Store at -20°C
XLogP3 10
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 35
Exact Mass 824.51766493 g/mol
Monoisotopic Mass 824.51766493 g/mol
Topological Polar Surface Area 205Ų
Heavy Atom Count 57
Formal Charge 0
Complexity 1130
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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