C12 NBD Globotriaosylceramide

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C12 NBD Globotriaosylceramide

C12 NBD Globotriaosylceramide

Catalog Number A16-0037
Category Lipid Fluorescent Probes
Molecular Formula C54H91N5O21
Molecular Weight 1146.3
Catalog Number Size Price Quantity
A16-0037 -- $--

Product Introduction

C12 NBD globotriaosylceramide is a globotriaosylceramide derivative that is tagged with a fluorescent group C12 nitrobenzoxadiazole (C12 NBD). C12 NBD is an analog of ceramide trihexoside, a glycosphingolipid found mostly in mammalian cell membranes. C12 NBD globotriaosylceramide is an ideal probe for identifying ceramide trihexoside.

Chemical Information

Synonyms N-dodecanoyl-NBD-Ceramide Trihexoside
Purity ≥98%
IUPAC Name N-[(E,2S,3R)-1-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]-12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanamide
Canonical SMILES CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)NC(=O)CCCCCCCCCCCNC4=CC=C(C5=NON=C45)[N+](=O)[O-])O
InChI InChI=1S/C54H91N5O21/c1-2-3-4-5-6-7-8-9-10-12-15-18-21-24-36(63)34(56-40(64)25-22-19-16-13-11-14-17-20-23-28-55-33-26-27-35(59(72)73)42-41(33)57-80-58-42)32-74-52-48(70)45(67)50(38(30-61)76-52)79-54-49(71)46(68)51(39(31-62)77-54)78-53-47(69)44(66)43(65)37(29-60)75-53/h21,24,26-27,34,36-39,43-55,60-63,65-71H,2-20,22-23,25,28-32H2,1H3,(H,56,64)/b24-21+/t34-,36+,37+,38+,39+,43-,44-,45+,46+,47+,48+,49+,50+,51-,52+,53+,54-/m0/s1
InChI Key ZSXIFORFOSGBPE-NQOROTTDSA-N
Appearance Solid Powder
  • Product Specification
Storage Store at -20°C

Computed Properties

XLogP3 4.7
Hydrogen Bond Donor Count 13
Hydrogen Bond Acceptor Count 24
Rotatable Bond Count 38
Exact Mass 1145.62065493 g/mol
Monoisotopic Mass 1145.62065493 g/mol
Topological Polar Surface Area 404Ų
Heavy Atom Count 80
Formal Charge 0
Complexity 1730
Isotope Atom Count 0
Defined Atom Stereocenter Count 17
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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