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2'-Fucosyllactose (~90%)

CAT: 0572-TRC-F836138-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F836138-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41263-94-9
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H](O)[C@H](O)[C@@H]1O
Molecular Formula
C18H32O15
Molecular Weight
488.44
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2'-Fucosyllactose

2'-Fucosyllactose is under investigation in clinical trial NCT03847467 (Pilot and Feasibility Study of 2'-FL as a Dietary Supplement in IBD Patients Receiving Stable Maintenance Anti-tnf Therapy).

CAS Number41263-94-9
PubChem CID170484
IUPAC Name(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 FormulaC18H32O15
Molecular Weight488.4
XLogP-6.1
Topological Polar Surface Area256
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity609
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)O
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
InChIKey
HWHQUWQCBPAQQH-BWRPKUOHSA-N
Chemical Structure
2D Structure
2D structure of 2'-Fucosyllactose
CAS: 41263-94-9
CID: 170484
Formula: C18H32O15
MW: 488.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight488.4
XLogP3-6.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count10
Exact Mass488.17412031
Monoisotopic Mass488.17412031
Topological Polar Surface Area256 Ų
Heavy Atom Count33
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes