NHS-PEG4-SPDP - ≥95% , CAS No.1334177-95-5

CAS: 1334177-95-5 Cat. No.: N404799 분자식: C₂₃H₃₃N₃O₉S₂ 분자량: 559.65

등급 & 순도 ≥95%

Synonyms

3-(2-Pyridyldithio)propionamido-PEG4-NHS Ester | N-Succinimidyl 3-Oxo-1-(pyridin-2-yldisulfanyl)-7,10,13,16-tetraoxa-4-azanonadecan-19-oate | 3-Oxo-1-(pyridin-2-yldisulfanyl)-7,10,13,16-tetraoxa-4-azanonadecan-19-oic Acid N-Succinimidyl Ester | N-[3-(o-Py

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

사양

동의어

3-(2-Pyridyldithio)propionamido-PEG4-NHS Ester | N-Succinimidyl 3-Oxo-1-(pyridin-2-yldisulfanyl)-7,10,13,16-tetraoxa-4-azanonadecan-19-oate | 3-Oxo-1-(pyridin-2-yldisulfanyl)-7,10,13,16-tetraoxa-4-azanonadecan-19-oic Acid N-Succinimidyl Ester | N-[3-(o-Py

사양 및 순도

≥95%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

Pubchem Sid

504771043

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771043

정식 스마일

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCSSC2=CC=CC=N2

IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

InChIKey

QTVBGVZVUCIFAH-UHFFFAOYSA-N

INCHI

1S/C23H33N3O9S2/c27-19(7-18-36-37-20-3-1-2-8-25-20)24-9-11-32-13-15-34-17-16-33-14-12-31-10-6-23(30)35-26-21(28)4-5-22(26)29/h1-3,8H,4-7,9-18H2,(H,24,27)

이성체 SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCNC(=O)CCSSC2=CC=CC=N2

분자량

559.65

Reaxy-Rn

28915570

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28915570&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Pyrrolidine-2-ones Heteroaromatic compounds Dicarboximides Secondary carboxylic acid amides Organic disulfides Lactams Sulfenyl compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - 2-pyrrolidone - Pyrrolidone - Dicarboximide - Heteroaromatic compound - Pyrrolidine - Carboxamide group - Lactam - Organic disulfide - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Sulfenyl compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• 감도: Moisture Sensitive,Heat Sensitive
• 분자량: 559.700 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 22
• Exact Mass: 559.166 Da
• Monoisotopic Mass: 559.166 Da
• Topological Polar Surface Area: 193.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 686.000
• 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