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Chemical structure of Trehalose-6,6'-dibehenate

GC26138

Trehalose-6,6'-dibehenate

Also known as [(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

Trehalose-6,6'-dibehenate is a bioactive glycolipid that can be used to prepare vaccine adjuvant

ChemicalCAS66758-35-8MW987.43FormulaC56H106O13
CAS number
66758-35-8
Molecular weight
987.43
Formula
C56H106O13
InChIKey
ZLJJDBSDZSZVTF-LXOQPCSCSA-N
Catalogue number
GC26138
Brand
GLPBIO
Computed properties PubChem CID 11170611 · XLogP 17 · TPSA 202 Ų · H-bond donors 6
XLogP
17
TPSA
202 Ų
H-bond donors
6
H-bond acceptors
13
Rotatable bonds
48
Heavy atoms
69

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

Computed descriptors from PubChem (CID 11170611), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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