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LSTc

CAT: 0013-GTR19233620-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233620-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LSTc, a human milk oligosaccharide present on glycoproteins and glycolipids, acts as the specific host receptor for JC polyomavirus (JCV) . It is a critical tool for studying JCV infection mechanisms and pathogenesis, including research relevant to progressive multifocal leukoencephalopathy (PML), in both in vitro binding and cellular infection assays.
CAS Number
64003-55-0
Smiles
O (C[C@H]1O[C@@H] (O[C@@H]2[C@@H] (CO) O[C@@H] (O[C@@H]3[C@@H] (O) [C@H] (O[C@@H] ([C@@H] ([C@H] (C=O) O) O) [C@@H] (CO) O) O[C@H] (CO) [C@@H]3O) [C@H] (NC (C) =O) [C@H]2O) [C@H] (O) [C@@H] (O) [C@H]1O) [C@@]4 (C (O) =O) O[C@@] ([C@@H] ([C@@H] (CO) O) O) ([C@H] (NC (C) =O) [C@@H] (O) C4) [H]
Molecular Formula
C37H62N2O29
Molecular Weight
998.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LSTc
CAS Number64003-55-0
PubChem CID131882577
IUPAC Name(2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Molecular FormulaC37H62N2O29
Molecular Weight998.9
XLogP-11.8
Topological Polar Surface Area510
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count29
Rotatable Bond Count22
Heavy Atom Count68
Formal Charge0
Complexity1640
SMILES
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O)O)O)O
InChI
InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-23(53)26(56)27(57)34(64-18)66-30-17(8-44)63-33(20(25(30)55)39-11(2)46)67-32-24(54)16(7-43)62-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,32-,33-,34-,35-,37+/m0/s1
InChIKey
SXMGGNXBTZBGLU-JRZQLMJNSA-N
Chemical Structure
2D Structure
2D structure of LSTc
CAS: 64003-55-0
CID: 131882577
Formula: C37H62N2O29
MW: 998.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight998.9
XLogP3-11.8
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count29
Rotatable Bond Count22
Exact Mass998.34382394
Monoisotopic Mass998.34382394
Topological Polar Surface Area510 Ų
Heavy Atom Count68
Formal Charge0
Complexity1640
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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