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Oligoses

3-Fucosyllactose

3-岩藻糖基乳糖

PHY-NP-04956 · Natural product research catalog

Catalog numberPHY-NP-04956
CAS number41312-47-4
Molecular formulaC18H32O15
Molecular weight488.439 g/mol
Chemical classOligoses
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 3-Fucosyllactose

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Product information

3-Fucosyllactose is listed in the Oligoses section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name(2S,3S,4R,5S,6S)-2-[(3R,4R,5R,6R)-2,3-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
SMILESC[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2O)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O
InChIKeyWJPIUUDKRHCAEL-YVEAQFMBSA-N
Subclass / scaffoldDisaccharides Polysaccharides
PubChem CID16216990

Computed properties

Exact mass (Da)488.1741Predicted LogP-6.5454
Predicted TPSA (Ų)248.45H-bond donors10
H-bond acceptors15Rotatable bonds6

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count3
Aromatic rings0
Fraction Csp³1.0
Synthetic accessibility score4.85
QED score0.167
Lipinski rule violations2
NPClassifier pathwayCarbohydrates
NPClassifier superclassSaccharides
NPClassifier classDisaccharides;Polysaccharides
Parent SMILESC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](CO)OC(O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
Parent formulaC18H32O15
Parent molecular weight488.439
Specified stereocenters14
Unspecified stereocenters1

Reported natural occurrence

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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