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Chemical structure of Lactodifucotetraose

GC76248

Lactodifucotetraose

Also known as (2R,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal

Lactodifucotetraose (Difucosyllactose) is a tetrasaccharide isolated from human milk

ChemicalCAS20768-11-0MW634.58FormulaC24H42O19
CAS number
20768-11-0
Molecular weight
634.58
Formula
C24H42O19
InChIKey
BRHHWBDLMUBZQQ-JZEMXWCPSA-N
Catalogue number
GC76248
Brand
GLPBIO
Computed properties PubChem CID 3082169 · XLogP -7.2 · TPSA 315 Ų · H-bond donors 12
XLogP
-7.2
TPSA
315 Ų
H-bond donors
12
H-bond acceptors
19
Rotatable bonds
12
Heavy atoms
43

SMILES C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 3082169), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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