2'-FUCOSYLLACTOSE

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Synonyms
Status
Molecule Category Free-form
UNII XO2533XO8R
EPA CompTox DTXSID40194179

Structure

InChI Key HWHQUWQCBPAQQH-BWRPKUOHSA-N
Smiles C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
InChI
InChI=1S/C18H32O15/c1-5-9(24)12(27)14(29)17(30-5)33-16-13(28)11(26)8(4-21)31-18(16)32-15(7(23)3-20)10(25)6(22)2-19/h2,5-18,20-29H,3-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17-,18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H32O15
Molecular Weight 488.44
AlogP -6.7
Hydrogen Bond Acceptor 15.0
Hydrogen Bond Donor 10.0
Number of Rotational Bond 10.0
Polar Surface Area 256.29
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 33.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297252
DrugBank DB16052
FDA SRS XO2533XO8R
Human Metabolome Database HMDB0002098
PubChem 170484
SureChEMBL SCHEMBL2505859
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