Propargyl-PEG3-NHS ester

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Propargyl-PEG3-NHS ester

Propargyl-PEG3-NHS ester | CAS 1428629-71-3

Catalog Number R01-0229
Category Alkynes
Molecular Formula C14H19NO7
Molecular Weight 313.30
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Product Introduction

  • Chemical Information

  • Product Specification

  • Application

  • Computed Properties

  • Patents

Synonyms Alkyne-PEG3-NHS;2,5-Dioxopyrrolidin-1-yl 3-(2-(2-(prop-2-yn-1-yloxy)ethoxy)ethoxy)propanoate
Purity >98.0%
Shelf Life 0-4°C for short term (days to weeks), or -20°C for long term (months).
IUPAC Name (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-prop-2-ynoxyethoxy)ethoxy]propanoate
Canonical SMILES C#CCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI InChI=1S/C14H19NO7/c1-2-6-19-8-10-21-11-9-20-7-5-14(18)22-15-12(16)3-4-13(15)17/h1H,3-11H2
InChIKey YDRPXORAOIYIGV-UHFFFAOYSA-N
Solubility 10 mm in DMSO
Density 1.3±0.1 g/cm3
Appearance Transparent Liquid
Boiling Point 427.2±55.0 °C at 760 mmHg
Vapor Pressure 0.0±1.0 mmHg at 25°C
LogP -1.96
Excitation 647
Emission 655
Storage Store at -20 °C, keep in dry and avoid sunlight.
XLogP3 -1.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 12
Exact Mass 313.11615195 g/mol
Monoisotopic Mass 313.11615195 g/mol
Topological Polar Surface Area 91.4Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 424
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
Publication Number Title Priority Date
EP-4087584-A2 Cell surface receptor binding compounds and conjugates 2020-01-10
WO-2021067738-A1 Development of imaging and therapeutic glucose analogues for sodium dependent glucose transporters 2019-10-04
EP-4037691-A1 Development of imaging and therapeutic glucose analogues for sodium dependent glucose transporters 2019-10-04
US-2019328900-A1 Antibody-drug conjugates and therapeutic methods using the same 2016-07-01
US-2019142906-A1 Insulin receptor partial agonists and glp-1 analogues 2016-05-24

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