2'-Fucosyllactose
(2R,3R,4R,5R)-4-[(2S,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-2,3,5,6-tetrahydroxyhexanal
Molecular Identity
2'-Fucosyllactose
(2R,3R,4R,5R)-4-[(2S,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-2,3,5,6-tetrahydroxyhexanal
PubChem CID: 170484
2D Structure
Properties
C18H32O15
Molecular Formula
488.40
Molecular Weight
g/mol
488.1741
Exact Mass
Da
-6.1
XLogP
Drug-like (Lipinski: < 5)
256
TPSA
May have limited oral absorption
10
H-Bond Donors
15
H-Bond Acceptors
609
Complexity
SMILES
Canonical SMILES
SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC(C(CO)O)C(C(C=O)O)O)CO)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](O[C@H]2O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)O)O)O)OSynonyms(20)
2'-Fucosyllactose41263-94-92'-O-fucosyllactoseLactose, 2'-o-fucosyl-XO2533XO8R2'-o-l-fucosyl-d-lactoseDTXSID40194179(2R,3R,4R,5R)-4-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal(2R,3R,4R,5R)-4-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)oxan-2-yl)oxy)-2,3,5,6-tetrahydroxyhexanalRefChem:80341DTXCID00116670807-054-1CHEBI:1471552'-Fucosyl-D-lactose2'-Fucosyllactose - Synthetic
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 2'-Fucosyllactose
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