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 Number	84061-53-0
PubChem CID	102601466
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 Formula	C43H72N2O33
Molecular Weight	1145.0
XLogP	-12
Topological Polar Surface Area	561
Hydrogen Bond Donor Count	21
Hydrogen Bond Acceptor Count	33
Rotatable Bond Count	20
Heavy Atom Count	78
Formal Charge	0
Complexity	1950

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

CAS: 84061-53-0

CID: 102601466

Formula: C43H72N2O33

MW: 1145.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1145.0
XLogP3	-12
Hydrogen Bond Donor Count	21
Hydrogen Bond Acceptor Count	33
Rotatable Bond Count	20
Exact Mass	1144.4017327
Monoisotopic Mass	1144.4017327
Topological Polar Surface Area	561 Å²
Heavy Atom Count	78
Formal Charge	0
Complexity	1950
Isotope Atom Count	0
Defined Atom Stereocenter Count	30
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
45/50-0010	3'-Sialyl-3-fucosyllactose
61/61-0005	Sialyl-LNF V-HSA
45/50-0005	3'-Sialyl-3-fucosyllactose
61/68KLH	Sialyl-LNnT-penta-APD-KLH
61/68	Sialyl-LNnT-penta-APD-HSA
56/52-0010	Sialyl-Lacto-N-fucopentaose V
56/52-0001	Sialyl-Lacto-N-fucopentaose V
85/06-0010	Sialyl-lacto-N-tetraose c-GEL
61/64-0005	Di-Lewis x-APE, BSA conjugate
60/95-0001	Lewis y-tetrasaccharide-APE, HSA conjugate

Alternative Products

Catalog	Name
253961	CA19-9 (Sialyl Lewis (a), Sialyl Lewis (a), Sialyl Lewisa)
HY-W854385	Sialyl Lewis A
S1013-51B-01	Sialyl Lewis X
C00173-1mg*5	Anti-Sialyl-Lewis A
T35884-01	Sialyl-Lewis X
GWB-D3226C	Sialyl Lewis a Antibody
sc-51696	Sialyl Lewis a (121SLE)
OS00745-01	3'-Sialyl Lewis A
GTR19274995-01	Sialyl Lewis A sodium
abx020612	Sialyl-Lewis A Antibody

Sialyl-Lewis a

Chemical Information

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