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Sialyl-Lewis a

CAT: 0516-56/51-0005Size: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0516-56/51-0005Size:0.5 mg
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CAS Number
84061-53-0
Structure Composition
Neu5Ac (a2-3) Gal (b1-3) [Fuc (a1-4) ]GlcNAc (b1-3) Gal (b1-4) Glc
Storage Conditions
0-5 °C
Short Name
Sialyl-Lea; 19-9 antigen; CA 19-9; Sia-LNF II; Sia LNF II; Sia Le (a) ; Sia Le a; Sialyl-Lewia A; Sialyl Le (a) ; Sialylated Lewis (a) ; Sialylated Lewis A

Chemical Information

GlyTouCan:G19959GJ
CAS Number84061-53-0
PubChem CID102601466
IUPAC Name(2S,4S,5R,6S)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Molecular FormulaC43H72N2O33
Molecular Weight1145.0
XLogP-12
Topological Polar Surface Area561
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count33
Rotatable Bond Count20
Heavy Atom Count78
Formal Charge0
Complexity1950
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@]4(C[C@@H]([C@H]([C@H](O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)O[C@@H]6[C@H](OC([C@@H]([C@H]6O)O)O)CO)CO)O)CO)O)O)O
InChI
InChI=1S/C43H72N2O33/c1-10-21(55)25(59)28(62)39(68-10)74-32-18(9-50)72-38(76-35-23(57)15(6-47)70-40(29(35)63)73-31-17(8-49)69-37(65)27(61)26(31)60)20(45-12(3)52)34(32)75-41-30(64)36(24(58)16(7-48)71-41)78-43(42(66)67)4-13(53)19(44-11(2)51)33(77-43)22(56)14(54)5-46/h10,13-41,46-50,53-65H,4-9H2,1-3H3,(H,44,51)(H,45,52)(H,66,67)/t10-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28-,29+,30+,31+,32+,33-,34+,35-,36-,37?,38-,39-,40-,41-,43-/m0/s1
InChIKey
ORKBHQHNIGRMPV-OQVQZLGNSA-N
Chemical Structure
2D Structure
2D structure of GlyTouCan:G19959GJ
CAS: 84061-53-0
CID: 102601466
Formula: C43H72N2O33
MW: 1145.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1145.0
XLogP3-12
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count33
Rotatable Bond Count20
Exact Mass1144.4017327
Monoisotopic Mass1144.4017327
Topological Polar Surface Area561 Ų
Heavy Atom Count78
Formal Charge0
Complexity1950
Isotope Atom Count0
Defined Atom Stereocenter Count30
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
253961CA19-9 (Sialyl Lewis (a), Sialyl Lewis (a), Sialyl Lewisa)
HY-W854385Sialyl Lewis A
GWB-D3226CSialyl Lewis a Antibody
T35884-01Sialyl-Lewis X
sc-51696Sialyl Lewis a (121SLE)
S1013-51B-01Sialyl Lewis X
C00173-1mg*5Anti-Sialyl-Lewis A
OS00745-013'-Sialyl Lewis A
GTR19274995-01Sialyl Lewis A sodium
abx020612Sialyl-Lewis A Antibody

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