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Lewis X Trisaccharide

CAT: 0572-TRC-L395000-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L395000-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
71208-06-5
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=O)C)C(O)O[C@H](CO)[C@H]2O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@@H]1O
Molecular Formula
C20 H35 N O15
Molecular Weight
529.49
InChI
InChI=1S/C20H35NO15/c1-5-10(25)12(27)14(29)19(32-5)36-17-9(21-6(2)24)18(31)33-8(4-23)16(17)35-20-15(30)13(28)11(26)7(3-22)34-20/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17+,18?,19-,20-/m0/s1
Additionnal Information
IUPAC name: N-[(3R,4R,5S,6R)-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Lewis x Trisaccharide
CAS Number71208-06-5
PubChem CID3035680
IUPAC NameN-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide
Molecular FormulaC20H35NO15
Molecular Weight529.5
XLogP-6.1
Topological Polar Surface Area265
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity715
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O
InChI
InChI=1S/C20H35NO15/c1-6-11(27)13(29)15(31)19(33-6)35-17(8(3-22)21-7(2)25)18(9(26)4-23)36-20-16(32)14(30)12(28)10(5-24)34-20/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1
InChIKey
ZAFUNKXZZPSTLA-MBKDEEHCSA-N
Chemical Structure
2D Structure
2D structure of Lewis x Trisaccharide
CAS: 71208-06-5
CID: 3035680
Formula: C20H35NO15
MW: 529.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.5
XLogP3-6.1
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass529.20066941
Monoisotopic Mass529.20066941
Topological Polar Surface Area265 Ų
Heavy Atom Count36
Formal Charge0
Complexity715
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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OL06490-01Lewis X trisaccharide
OL31923-01Lewis A trisaccharide-sp-biotin
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sc-280914Lewis A Trisaccharide, Methyl Glycoside
297300-01Lewis X trisaccharide methyl glucoside
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