1-Octanesulfonic acid sodium salt - UltraBio™, Ultra pure , CAS No.5324-84-5

CAS: 5324-84-5 Cat. No.: O475290 Peso molecular: 216.27 Beilstein Registry Number: 3574241 Número EC: 226-195-4

GRADE & PURITY UltraBio™, Ultra pure

Synonyms

UNII-J46EZ5JYB3 | W-105760 | BCP22519 | DTXSID2027595 | WITCONATE NAS-FAL | J46EZ5JYB3 | Sodium octane-1-sulfonate;Sodium 1-octanesulfonate | sodium n-octanesulfonate | 1-Octanesulfonic acid sodium salt, for HPLC, >=99% | 1-Octanesulfonic acid, sodium sal

Storage

Room temperature

Descripción general

Description

Ion-pairing reagent for HPLC analysis of peptides and proteins.

Specifications

Sinónimos

UNII-J46EZ5JYB3 | W-105760 | BCP22519 | DTXSID2027595 | WITCONATE NAS-FAL | J46EZ5JYB3 | Sodium octane-1-sulfonate;Sodium 1-octanesulfonate | sodium n-octanesulfonate | 1-Octanesulfonic acid sodium salt, for HPLC, >=99% | 1-Octanesulfonic acid, sodium sal

Especificaciones y pureza

UltraBio™, Ultra pure

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Ultra pure, UltraBio™

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;octane-1-sulfonate
• InChIKey: HRQDCDQDOPSGBR-UHFFFAOYSA-M
• INCHI: 1S/C8H18O3S.Na/c1-2-3-4-5-6-7-8-12(9,10)11;/h2-8H2,1H3,(H,9,10,11);/q;+1/p-1
• Isómeros SMILES: CCCCCCCCS(=O)(=O)[O-].[Na+]
• WGK Alemania: 3
• CAS alternativo: 3944-72-7
• Peso molecular: 216.27
• Beilstein: 3574241
• Reaxy-Rn: 3574241
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3574241&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: H2O: 1M at20°C, clear, colorless
• Punto de fusión (°C): 300°C
• Peso molecular: 216.280 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 216.08 Da
• Monoisotopic Mass: 216.08 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 184.000
• 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: 2

XLogP3

Referencias

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