ChemicalBook--->CAS DataBase List--->1245823-51-1

1245823-51-1

1245823-51-1 Structure

1245823-51-1 Structure
IdentificationBack Directory
[Name]

Acetylene-PEG5-acid
[CAS]

1245823-51-1
[Synonyms]

1245823-51-1
Alkyne-PEG4-Acid
Alkyne-PEG5-COOH
Alkyne-PEG5-acid
Propargyl-PEG5-acid
PROPARGYL-PEG5-COOH
Acetylene-PEG5-acid
Propargyl-PEG4-C2-acid
Propyne-PEG4-CH2CH2COOH
Propargyl-PEG4-CH2CH2COOH
4,7,10,13,16-Pentaoxanonadec-18-ynoic acid
4,7,10,13,16-pentaoxanonadec-18-yn-1-oic acid
[Molecular Formula]

C14H24O7
[MDL Number]

MFCD22201536
[MOL File]

1245823-51-1.mol
[Molecular Weight]

304.34
Chemical PropertiesBack Directory
[Boiling point ]

426.3±45.0 °C(Predicted)
[density ]

1.127±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Soluble in Water, DMSO, DCM, DMF
[form ]

Liquid
[pka]

4.28±0.10(Predicted)
[color ]

Light yellow to yellow
[Appearance]

yellow oily liquid
[InChI]

InChI=1S/C14H24O7/c1-2-4-17-6-8-19-10-12-21-13-11-20-9-7-18-5-3-14(15)16/h1H,3-13H2,(H,15,16)
[InChIKey]

GWIACWQVTBMVEI-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCOCCOCCOCCOCCOCC#C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H319
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36
[Safety Statements ]

26
[WGK Germany ]

3
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Hazard InformationBack Directory
[Description]

Propargyl-PEG5-acid has a propargyl group at one end and an acid group at the other end. The acid can react with primary amines to form a stable amide bond, activation will be needed. The PEG units enhances solubility of the molecule in aqueous environment. The propargyl group can be linked to azide-containing biomolecules via Click Chemistry.
[Uses]

Alkyne-PEG5-acid may be used in the synthesis of peptide nucleic acid (PNA) oligomers that can conjugate with vitamin B12 via Cu-catalyzed 1,3-dipolar cycloaddition in order to study if vitamin B12 to transport PNA oligonucleotides into bacterial cells.
[Uses]

Propargyl-peg5 Acid is used as a reactant in the preparation of site-specific antibody-pyrrolobenzodiazepine conjugates.
[reaction suitability]

reaction type: click chemistry
reagent type: cross-linking reagent
[IC 50]

Non-cleavable Linker; PEGs
Spectrum DetailBack Directory
[Spectrum Detail]

Acetylene-PEG5-acid(1245823-51-1)1HNMR
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