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6′-Galactosyllactose

CAT: 0013-GTR19217439-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217439-01Size:5 mg
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Description
A major human milk oligosaccharide, 6′-Galactosyllactose serves as a precursor for other HMOs and exhibits anti-inflammatory activity in vitro using intestinal cell models. This compound is utilized in research areas including gastroenterology, immunology, and nutritional science to study gut health and inflammatory responses.
CAS Number
32581-31-0
Smiles
O ([C@@H] ([C@@H] ([C@H] (C=O) O) O) [C@@H] (CO) O) [C@@H]1O[C@H] (CO[C@@H]2O[C@H] (CO) [C@H] (O) [C@H] (O) [C@H]2O) [C@H] (O) [C@H] (O) [C@H]1O
Molecular Formula
C18H32O16
Molecular Weight
504.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6'-Galactosyllactose
CAS Number32581-31-0
PubChem CID101916624
IUPAC Name(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal
Molecular FormulaC18H32O16
Molecular Weight504.4
XLogP-7.2
Topological Polar Surface Area277
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity625
SMILES
C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O
InChI
InChI=1S/C18H32O16/c19-1-5(22)9(24)16(6(23)2-20)34-18-15(30)13(28)11(26)8(33-18)4-31-17-14(29)12(27)10(25)7(3-21)32-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10-,11-,12-,13-,14+,15+,16+,17+,18-/m0/s1
InChIKey
ZCLAHGAZPPEVDX-WGLZGUASSA-N
Chemical Structure
2D Structure
2D structure of 6'-Galactosyllactose
CAS: 32581-31-0
CID: 101916624
Formula: C18H32O16
MW: 504.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.4
XLogP3-7.2
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count11
Exact Mass504.16903493
Monoisotopic Mass504.16903493
Topological Polar Surface Area277 Ų
Heavy Atom Count34
Formal Charge0
Complexity625
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

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