Dicyclohexyl sulfosuccinate sodium salt - ≥98% , CAS No.23386-52-9

CAS: 23386-52-9 Cat. No.: D352671 Molecular Weight: 384.42 EC Number: 245-629-3

GRADE & PURITY ≥98%

Synonyms

(6R)-Tetrahydrobiopterin | 1,4-Dicyclohexyl sulfobutanedioate sodium salt | F87238 | Bis-cyclohexyl sodium sulfosuccinate (80%) | HY-W250193 | Succinic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt | Tox21_202103 | Aerosol A 196 | Succinic acid, sulfo

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

(6R)-Tetrahydrobiopterin | 1, 4-Dicyclohexyl sulfobutanedioate sodium salt | F87238 | Bis-cyclohexyl sodium sulfosuccinate (80%) | HY-W250193 | Succinic acid, sulfo-, 1, 4-dicyclohexyl ester, sodium salt | Tox21_202103 | Aerosol A 196 | Succinic acid, sulfo

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200562
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200562
• Canonical Smiles: C1CCC(CC1)OC(=O)CC(C(=O)OC2CCCCC2)S(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;1,4-dicyclohexyloxy-1,4-dioxobutane-2-sulfonate
• InChIKey: UELAIMNOXLAYRW-UHFFFAOYSA-M
• INCHI: 1S/C16H26O7S.Na/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13;/h12-14H,1-11H2,(H,19,20,21);/q;+1/p-1
• Isomeric SMILES: C1CCC(CC1)OC(=O)CC(C(=O)OC2CCCCC2)S(=O)(=O)[O-].[Na+]
• WGK Germany: 1
• Molecular Weight: 384.42
• Reaxy-Rn: 15332024
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15332024&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Alkanesulfonic acids Carboxylic acid esters Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboxylic acid ester - Carboxylic acid derivative - Organic alkali metal salt - Carbonyl group - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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: Moisture sensitive
• Molecular Weight: 384.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 384.122 Da
• Monoisotopic Mass: 384.122 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 531.000
• 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: 2

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