MS-Peg4-thp - ≥95% , CAS No.145927-73-7

CAS: 145927-73-7 Cat. No.: M1020915 Formula: C₁₄H₂₈O₈S Peso molecolare: 356.43 PubChem CID: 19940118

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CS(=O)(=O)OCCOCCOCCOCCOC1CCCCO1
• IUPAC Name: 2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
• InChIKey: IHVHEXYPQZJGKH-UHFFFAOYSA-N
• INCHI: 1S/C14H28O8S/c1-23(15,16)22-13-11-19-9-7-17-6-8-18-10-12-21-14-4-2-3-5-20-14/h14H,2-13H2,1H3
• Isomeri SMILES: CS(=O)(=O)OCCOCCOCCOCCOC1CCCCO1
• PubChem CID: 19940118
• Peso molecolare: 356.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Oxacyclic compounds Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Acetal - Dialkyl ether - Ether - Oxacycle - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen 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

Proprietà chimiche e fisiche

• Peso molecolare: 356.430 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 14
• Exact Mass: 356.15 Da
• Monoisotopic Mass: 356.15 Da
• Topological Polar Surface Area: 97.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 367.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1