Trehalose-6,6'-dibehenate - ≥98% , CAS No.66758-35-8

CAS: 66758-35-8 Cat. No.: T419667 Molecular Weight: 987.433 PubChem CID: 11170611

GRADE & PURITY ≥98%

Synonyms

22:0 TREHALOSE | ((2R,2'R,3S,3'S,4S,4'S,5R,5'R,6R,6'R)-Oxybis(3,4,5-trihydroxytetrahydro-2H-pyran-6,2-diyl))bis(methylene) didocosanoate | CHEBI:82287 | alpha-D-Glucopyranoside,6-O-(1-oxodocosyl)-alpha-D-glucopyranosyl,6-docosanoate | DTXSID30457482 | 672

Storage

Store at 2-8°C

Shipped In

Wet ice

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

Synonyms

22:0 TREHALOSE | ((2R, 2'R, 3S, 3'S, 4S, 4'S, 5R, 5'R, 6R, 6'R)-Oxybis(3, 4, 5-trihydroxytetrahydro-2H-pyran-6, 2-diyl))bis(methylene) didocosanoate | CHEBI:82287 | alpha-D-Glucopyranoside, 6-O-(1-oxodocosyl)-alpha-D-glucopyranosyl, 6-docosanoate | DTXSID30457482 | 672

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766110
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766110
• Canonical Smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)CCCCCCCCCCCCCCCCCCCCC)O)O)O)O)O)O
• IUPAC Name: [(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-6-(docosanoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl docosanoate
• InChIKey: ZLJJDBSDZSZVTF-LXOQPCSCSA-N
• INCHI: 1S/C56H106O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(57)65-43-45-49(59)51(61)53(63)55(67-45)69-56-54(64)52(62)50(60)46(68-56)44-66-48(58)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-56,59-64H,3-44H2,1-2H3/t45-,46-,49-,50-,51+,52+,53-,54-,55-,56-/m1/s1
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)CCCCCCCCCCCCCCCCCCCCC)O)O)O)O)O)O
• PubChem CID: 11170611
• Molecular Weight: 987.433

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Saccharolipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Saccharolipids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Saccharolipids
• Alternative Parents: O-glycosyl compounds Disaccharides Fatty acid esters Oxanes Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Saccharolipid - Disaccharide - Glycosyl compound - O-glycosyl compound - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Oxane - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as saccharolipids. These are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety.
• External Descriptors: fatty acid derivative - O-acyl carbohydrate

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 987.400 g/mol
• XLogP3: 17.000
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 48
• Exact Mass: 986.763 Da
• Monoisotopic Mass: 986.763 Da
• Topological Polar Surface Area: 202.000 Ų
• Heavy Atom Count: 69
• Formal Charge: 0
• Complexity: 1100.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1