Molecular Identity
Trehalose
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
PubChem CID: 7427
Alpha,alpha-trehalose is a trehalose in which both glucose residues have alpha-configuration at the anomeric carbon. It has a role as a geroprotector, a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite.
2D Structure
Properties
C12H22O11
Molecular Formula
342.30
Molecular Weight
g/mol
342.1162
Exact Mass
Da
-4.2
XLogP
Drug-like (Lipinski: < 5)
190
TPSA
May have limited oral absorption
8
H-Bond Donors
11
H-Bond Acceptors
348
Complexity
SMILES
Canonical SMILES
SMILES: C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)OIsomeric SMILES
SMILES: C([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)CO)O)O)O)O)O)O)OSynonyms(20)
trehalose99-20-7D-(+)-TrehaloseMycosealpha,alpha-trehaloseErgot sugaralpha-D-TrehaloseCabalettaMushroom sugarNatural trehalosealpha-D-glucopyranosyl-alpha-D-glucopyranosidealpha,alpha'-Trehalosealpha-D-glucopyranosyl alpha-D-glucopyranosideCHEBI:16551B8WCK70T7I
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Trehalose
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