Cbz-N-amido-PEG6-acid - ≥98% , CAS No.1334177-80-8

CAS: 1334177-80-8 Cat. No.: C597004 Molecular Weight: 487.6 PubChem CID: 51340970

GRADE & PURITY ≥98%

Synonyms

Cbz-NH-PEG6-C2-acid | CBZ-NH-PEG6-COOH | CBZ-NH-PEG6-CH2CH2COOH | CbzNH-PEG6-CH2CH2COOH | 1334177-80-8 | 1-BENZYLOXYCARBONYLAMINO-3,6,9,12,15,18-HEXAOXAHENICOSAN-21-OIC ACID | 3-[2-[2-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]eth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

Cbz-N-amido-PEG6-acid is a PEG derivative containing a CBZ-protected amino group and a terminal carboxylic acid. The terminal carboxylic acid can be reacted with primary amine groups in the presence of activators (e.g. EDC, or DCC) to form a stable amide bond. The hydrophilic PEG spacer increases solubility in aqueous media. The protected amine can be deprotected by acidic conditions.

Specifications

Synonyms

Cbz-NH-PEG6-C2-acid | CBZ-NH-PEG6-COOH | CBZ-NH-PEG6-CH2CH2COOH | CbzNH-PEG6-CH2CH2COOH | 1334177-80-8 | 1-BENZYLOXYCARBONYLAMINO-3, 6, 9, 12, 15, 18-HEXAOXAHENICOSAN-21-OIC ACID | 3-[2-[2-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]eth

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O
• IUPAC Name: 3-[2-[2-[2-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• InChIKey: QWAOJWRYJPALAN-UHFFFAOYSA-N
• INCHI: 1S/C23H37NO10/c25-22(26)6-8-28-10-12-30-14-16-32-18-19-33-17-15-31-13-11-29-9-7-24-23(27)34-20-21-4-2-1-3-5-21/h1-5H,6-20H2,(H,24,27)(H,25,26)
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)NCCOCCOCCOCCOCCOCCOCCC(=O)O
• PubChem CID: 51340970
• Molecular Weight: 487.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Carbamate esters Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Carbamic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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: 487.500 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 24
• Exact Mass: 487.242 Da
• Monoisotopic Mass: 487.242 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 488.000
• 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