≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O |
|---|---|
| IUPAC Name | (2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enoxy]oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
| InChIKey | UIKPUUZBQYTDRX-YRRBDHRDSA-N |
| INCHI | 1S/C59H108N2O21/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(69)61-40(41(66)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-77-56-51(73)50(72)53(45(37-64)79-56)80-57-52(74)55(49(71)44(36-63)78-57)82-59(58(75)76)34-42(67)47(60-39(3)65)54(81-59)48(70)43(68)35-62/h30,32,40-45,47-57,62-64,66-68,70-74H,4-29,31,33-38H2,1-3H3,(H,60,65)(H,61,69)(H,75,76)/b32-30+/t40-,41+,42-,43+,44+,45+,47+,48+,49-,50+,51+,52+,53+,54+,55-,56+,57-,59-/m0/s1 |
| Molecular Weight | 1181.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Sphingolipids |
| Subclass | Glycosphingolipids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Gangliosides |
| Alternative Parents | Glycosyl-N-acylsphingosines Oligosaccharides N-acylneuraminic acids Neuraminic acids C-glucuronides Alkyl glycosides C-glycosyl compounds O-glycosyl compounds Ketals Oxanes Pyrans N-acyl amines Acetamides Secondary carboxylic acid amides Secondary alcohols Polyols Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Primary alcohols Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Neuaca2-3galb1-4glcb-cer_backbone - Glycosyl-n-acylsphingosine - Oligosaccharide - N-acylneuraminic acid or derivatives - N-acylneuraminic acid - Neuraminic acid - Fatty acyl glycoside - C-glucuronide - Alkyl glycoside - C-glycosyl compound - Glycosyl compound - O-glycosyl compound - Ketal - Fatty amide - N-acyl-amine - Fatty acyl - Oxane - Pyran - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Polyol - Carboxylic acid derivative - Carboxylic acid - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Alcohol - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as gangliosides. These are lipid molecules composed of a glycosphingolipid (ceramide and saccharide) with one or more sialic acids linked on the sugar chain. They are usually oligoglycosylceramides derived from lactosylceramide and containing a sialic acid residue such as N-acetylneuraminic acid. |
| External Descriptors | sialotriaosylceramide |
| Molecular Weight | 1181.500 g/mol |
|---|---|
| XLogP3 | 7.700 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 45 |
| Exact Mass | 1180.74 Da |
| Monoisotopic Mass | 1180.74 Da |
| Topological Polar Surface Area | 373.000 Ų |
| Heavy Atom Count | 82 |
| Formal Charge | 0 |
| Complexity | 1740.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 18 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
