Azido-PEG2-NHS ester - ≥96% , CAS No.1312309-64-0

CAS: 1312309-64-0 Cat. No.: A595036 분자식: C₁₁H₁₆N₄O₆ 분자량: 300.27 PubChem CID: 59289487

등급 & 순도 ≥96%

Synonyms

1312309-64-0 | R14-0309 | N3-PEG2-C2-NHS ester | (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-azidoethoxy)ethoxy]propanoate | BP-20524 | DTXSID401118503 | HY-126526 | AS-78239 | N3-PEG2-CH2CH2COONHS | Azido-PEG2-NHS ester | PD171730 | 2,5-dioxopyrrolidin-1-yl 3-(2-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Azido-PEG2-NHS ester is a PEG derivative containing an azide group and an NHS ester. The hydrophilic PEG spacer increases solubility in aqueous media. The azide group can react with alkyne, BCN, DBCO via Click Chemistry to yield a stable triazole linkage. The NHS ester can be used to label the primary amines (-NH2) of proteins, amine-modified oligonucleotides, and other amine-containing molecules.

사양

동의어

1312309-64-0 | R14-0309 | N3-PEG2-C2-NHS ester | (2,5-dioxopyrrolidin-1-yl) 3-[2-(2-azidoethoxy)ethoxy]propanoate | BP-20524 | DTXSID401118503 | HY-126526 | AS-78239 | N3-PEG2-CH2CH2COONHS | Azido-PEG2-NHS ester | PD171730 | 2,5-dioxopyrrolidin-1-yl 3-(2-

사양 및 순도

≥96%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥96%

이름과 식별자

Pubchem Sid

508817337

정식 스마일

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCN=[N+]=[N-]

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-azidoethoxy)ethoxy]propanoate

InChIKey

XDXWXTIRKQZRNN-UHFFFAOYSA-N

INCHI

1S/C11H16N4O6/c12-14-13-4-6-20-8-7-19-5-3-11(18)21-15-9(16)1-2-10(15)17/h1-8H2

이성체 SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCN=[N+]=[N-]

PubChem CID

59289487

분자량

300.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Dicarboximides Lactams Azo imides Azo compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Dicarboximide - Azo compound - Azo imide - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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

화학 및 물리적 특성

• 용해성: Solubility in DMSO, DMF, DCM
• 분자량: 300.270 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 300.107 Da
• Monoisotopic Mass: 300.107 Da
• Topological Polar Surface Area: 96.500 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 418.000
• 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