Cylexin

CAT: 0931-T201938-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T201938-02Size:50 mg

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CAS Number

168678-84-0

Bioactivity

Cylexin is a P-selectin inhibitor.

Smiles

[H][C@]1(O[C@H]([C@H]([C@H]([C@@H]1O)O)O)C)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@@]3(O[C@@H]([C@@H]([C@@H]([C@H]3O)O[C@]4(C(O)=O)C[C@@H]([C@H]([C@@](O4)([C@H]([C@@H](CO)O)O)[H])NC(C)=O)O)O)CO)[H])CO)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)OC)CO)O)O

Molecular Formula

C36H61NO28

Molecular Weight

955.86

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Cylexin

a synthetic analog of sialyl Lewis X

CAS Number	168678-84-0
PubChem CID	162623684
IUPAC Name	(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Molecular Formula	C36H61NO28
Molecular Weight	955.9
XLogP	-9.4
Topological Polar Surface Area	462
Hydrogen Bond Donor Count	17
Hydrogen Bond Acceptor Count	28
Rotatable Bond Count	17
Heavy Atom Count	65
Formal Charge	0
Complexity	1540

SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[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)CO)O[C@H]5[C@H]([C@H](O[C@H]([C@@H]5O)OC)CO)O)O)O)O)O

InChI

InChI=1S/C36H61NO28/c1-9-17(45)21(49)22(50)32(57-9)63-30-25(53)34(62-28-19(47)13(6-39)58-31(56-3)23(28)51)60-15(8-41)26(30)61-33-24(52)29(20(48)14(7-40)59-33)65-36(35(54)55)4-11(43)16(37-10(2)42)27(64-36)18(46)12(44)5-38/h9,11-34,38-41,43-53H,4-8H2,1-3H3,(H,37,42)(H,54,55)/t9-,11-,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22-,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,36-/m0/s1

InChIKey

OJVWCHCGJALQIL-BADDBONTSA-N

Chemical Structure

2D Structure

CAS: 168678-84-0

CID: 162623684

Formula: C36H61NO28

MW: 955.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	955.9
XLogP3	-9.4
Hydrogen Bond Donor Count	17
Hydrogen Bond Acceptor Count	28
Rotatable Bond Count	17
Exact Mass	955.33801029
Monoisotopic Mass	955.33801029
Topological Polar Surface Area	462 Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	1540
Isotope Atom Count	0
Defined Atom Stereocenter Count	26
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19243157-01	Cylexin

Cylexin

Chemical Information

Alternative Products

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