SDPD-PEG8-NHS - ≥95% , CAS No.1252257-56-9

CAS: 1252257-56-9 Cat. No.: S166724 Formula: C₃₁H₄₉N₃O₁₃S₂ Molecular Weight: 735.86 PubChem CID: 51341024

GRADE & PURITY ≥95%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥95%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

Pubchem Sid

488201498

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201498

Canonical Smiles

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

IUPAC Name

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

InChIKey

HKFFRXQWQMCBEO-UHFFFAOYSA-N

INCHI

1S/C31H49N3O13S2/c35-27(7-26-48-49-28-3-1-2-8-33-28)32-9-11-40-13-15-42-17-19-44-21-23-46-25-24-45-22-20-43-18-16-41-14-12-39-10-6-31(38)47-34-29(36)4-5-30(34)37/h1-3,8H,4-7,9-26H2,(H,32,35)

Isomeric SMILES

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

PubChem CID

51341024

Molecular Weight

735.86

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 735.900 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 34
• Exact Mass: 735.271 Da
• Monoisotopic Mass: 735.271 Da
• Topological Polar Surface Area: 230.000 Ų
• Heavy Atom Count: 49
• Formal Charge: 0
• Complexity: 878.000
• 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