Propargyl-PEG5-tetra-Ac-beta-D-glucose
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Basic information
- CAS
1360446-31-6- Standard SMILES
C#CCOCCOCCOCCOCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O- InChIKey
OAGPELHTINAWKB-NHTNDUFYSA-N- Molecular formula
- C25H38O14
- Average molar mass
- 562.6 g/mol
Names & identifiers
- Preferred name
- Propargyl-PEG5-tetra-Ac-beta-D-glucose
- IUPAC
- [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
- English name
- Propargyl-PEG5-tetra-Ac-beta-D-glucose
- Molecular formula
- C25H38O14
- Molecular weight
- 562.57
Names & synonyms
Propargyl-PEG5-tetra-Ac-beta-D-glucose1360446-31-6Propargyl-PEG4-tetra-Ac-beta-D-glucose[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate[(2R,3R,4S,5R,6R)-3,4,5-tris(acetyloxy)-6-(3,6,9,12-tetraoxapentadec-14-yn-1-yloxy)oxan-2-yl]methyl acetateorb1988951MFCD31692196AKOS040742488DA-66913HY-141133CS-0115576C70015
Show more names
β-Glc-PEG4-Alkyne tetraacetateβ-D-Glucopyranoside, 3,6,9,12-tetraoxapentadec-14-yn-1-yl, 2,3,4,6-tetraacetate
T166333,6,9,12-tetraoxapentadec-14-yn-1-yl-_-D-Glucopyranoside-2,3,4,6-tetraacetate
Database identifiers
- CAS
1360446-31-6- Nikkaji
- J3.046.051K
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 23
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 806
Physicochemical properties
- Boiling point
- 583.7 · 583.7±50.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
DescriptionPropargyl-PEG5-tetra-Ac-beta-D-glucose is a Click Chemistry-ready crosslinker containing a propargyl group and beta-D-glucose. The propargyl groups can react with azide-bearing compounds or biomolecules via copper catalyzed azide-alkyne Click Chemistry to yield stable triazole linkages. D-glucose increases solubility in aqueous media and increases the selectivity of the PEGylation reaction.
UsesPropargyl-PEG4-tetra-Ac-beta-D-glucose is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Related reactions
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Compound notes
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