1,3-bis(carboxyethoxy)-2,2-bis(carboxyethoxy)propane - ≥92% , CAS No.35638-19-8

CAS: 35638-19-8 Cat. No.: B595183 Molecular Weight: 424.4 EC Number: 815-007-1

GRADE & PURITY ≥92%

Synonyms

3,3'-((2,2-Bis((2-carboxyethoxy)methyl)propane-1,3-diyl)bis(oxy))dipropanoic acid | 1,3-bis(carboxyethoxy)-2,2-bis(carboxyethoxy)propane | 3-[3-(2-carboxyethoxy)-2,2-bis(2-carboxyethoxymethyl)propoxy]propanoic acid | HY-140527 | 3,3'-((2,2-bis((2-carboxye

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

1,3-bis(carboxyethoxy)-2,2-bis(carboxyethoxy)propane is a branched PEG derivative with four terminal carboxylic acids. The terminal carboxylic acids can be reacted with primary amino groups in the presence of activators (e.g. EDC, or DCC) to form a stable amide bond.

Specifications

Synonyms

3, 3'-((2, 2-Bis((2-carboxyethoxy)methyl)propane-1, 3-diyl)bis(oxy))dipropanoic acid | 1, 3-bis(carboxyethoxy)-2, 2-bis(carboxyethoxy)propane | 3-[3-(2-carboxyethoxy)-2, 2-bis(2-carboxyethoxymethyl)propoxy]propanoic acid | HY-140527 | 3, 3'-((2, 2-bis((2-carboxye

Specifications & Purity

≥92%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥92%

Names and Identifiers

• Canonical Smiles: C(COCC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O)C(=O)O
• IUPAC Name: 3-[3-(2-carboxyethoxy)-2,2-bis(2-carboxyethoxymethyl)propoxy]propanoic acid
• InChIKey: KIGSIPUDIPIMRD-UHFFFAOYSA-N
• INCHI: 1S/C17H28O12/c18-13(19)1-5-26-9-17(10-27-6-2-14(20)21,11-28-7-3-15(22)23)12-29-8-4-16(24)25/h1-12H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
• Isomeric SMILES: C(COCC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O)C(=O)O
• Molecular Weight: 424.4
• Reaxy-Rn: 4825233
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4825233&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 424.400 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 20
• Exact Mass: 424.158 Da
• Monoisotopic Mass: 424.158 Da
• Topological Polar Surface Area: 186.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 425.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1