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Lewis X Trisaccharide

CAT: 0013-GTR19247164-01Size: 5 mgDry Ice: NoHazardous: No
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Description
Lewis X Trisaccharide, Methyl Glycoside is a type of biochemical reagent used in glycobiology research. Glycobiology focuses on the study of the structure, synthesis, biology, and evolution of sugars. It encompasses carbohydrate chemistry, enzymology of glycan formation and degradation, protein-glycan recognition, and the role of glycans in biological systems. This field is closely associated with fundamental research, biomedical science, and biotechnology.
CAS Number
176106-81-3
Smiles
OC[C@H] ([C@@H] ([C@@H] ([C@H]1O) O) O) O[C@H]1O[C@H] ([C@H] (O[C@H] ([C@@H]2NC (C) =O) OC) CO) [C@@H]2O[C@H]3[C@H] ([C@@H] ([C@@H] ([C@@H] (O3) C) O) O) O
Molecular Formula
C21H37NO15
Molecular Weight
543.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lewis X Trisaccharide, Methyl Glycoside
CAS Number176106-81-3
PubChem CID5098606
IUPAC NameN-[6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide
Molecular FormulaC21H37NO15
Molecular Weight543.5
XLogP-5.3
Topological Polar Surface Area246
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity747
SMILES
CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)CO)OC)NC(=O)C)O)O)O
InChI
InChI=1S/C21H37NO15/c1-6-11(26)13(28)15(30)20(33-6)37-18-10(22-7(2)25)19(32-3)35-9(5-24)17(18)36-21-16(31)14(29)12(27)8(4-23)34-21/h6,8-21,23-24,26-31H,4-5H2,1-3H3,(H,22,25)
InChIKey
RWKWUCRJWBOBDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lewis X Trisaccharide, Methyl Glycoside
CAS: 176106-81-3
CID: 5098606
Formula: C21H37NO15
MW: 543.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight543.5
XLogP3-5.3
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass543.21631947
Monoisotopic Mass543.21631947
Topological Polar Surface Area246 Ų
Heavy Atom Count37
Formal Charge0
Complexity747
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count15
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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