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Chemical structure of Cellobiose

GC16449

Cellobiose

Also known as (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

Cellobiose is an endogenous metabolite

ChemicalCAS528-50-7MW342.3FormulaC12H22O11
CAS number
528-50-7
Molecular weight
342.3
Formula
C12H22O11
Solubility
≥ 34·2mg/mL in Water
InChIKey
GUBGYTABKSRVRQ-QRZGKKJRSA-N
Catalogue number
GC16449
Brand
GLPBIO
Computed properties PubChem CID 10712 · XLogP -4.7 · TPSA 190 Ų · H-bond donors 8
XLogP
-4.7
TPSA
190 Ų
H-bond donors
8
H-bond acceptors
11
Rotatable bonds
4
Heavy atoms
23

SMILES C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O

Computed descriptors from PubChem (CID 10712), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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