Ac4GlcNAlk

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Ac4GlcNAlk

Ac4GlcNAlk | 1361993-37-4

Catelog Number R01-0058
Category Alkynes
Molecular Formula C₁₉H₂₅NO₁₀
Molecular Weight 427.40
Catalog Number Size Price Quantity
R01-0058 -- $--

Product Introduction

Ac4GlcNAlk is a PROTAC linker, which is composed of alkyl chains. Ac4GlcNAlk can be used to synthesize a range of PROTACs.

Chemical Information

Synonyms N-(4-pentynoyl)-glucosamine-tetraacylated (Ac4GlcAl)
IUPAC Name [(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-(pent-4-ynoylamino)oxan-2-yl]methyl acetate
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC(=O)CCC#C)OC(=O)C)OC(=O)C
InChI InChI=1S/C19H25NO10/c1-6-7-8-15(25)20-16-18(28-12(4)23)17(27-11(3)22)14(9-26-10(2)21)30-19(16)29-13(5)24/h1,14,16-19H,7-9H2,2-5H3,(H,20,25)/t14-,16-,17-,18-,19?/m1/s1
InChI Key PODQGPKRSTUNAT-ULAPBGCESA-N

Product Specification

Storage Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties

Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 12
Exact Mass 427.14784599 g/mol
Monoisotopic Mass 427.14784599 g/mol
Topological Polar Surface Area 144Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 724
Isotope Atom Count 0
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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