Sodium (+)-10-Camphorsulfonate - ≥98% , CAS No.21791-94-6

CAS: 21791-94-6 Cat. No.: S182830 Molecular Weight: 254.3 PubChem CID: 23692755

GRADE & PURITY ≥98%

Synonyms

CFN2D8XEIU | SODIUM CAMPHOSULFONATE [WHO-DD] | BICYCLO(2.2.1)HEPTANE-1-METHANESULFONIC ACID, 7,7-DIMETHYL-2-OXO-, SODIUM SALT (1:1) (1S,4R)- | UNII-CFN2D8XEIU | D-CAMPHORSULFONIC ACID SODIUM SALT | SODIUM (+)-10-CAMPHORSULFONATE | (S)-10-CAMPHORSULFONIC A

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

CFN2D8XEIU | SODIUM CAMPHOSULFONATE [WHO-DD] | BICYCLO(2.2.1)HEPTANE-1-METHANESULFONIC ACID, 7, 7-DIMETHYL-2-OXO-, SODIUM SALT (1:1) (1S, 4R)- | UNII-CFN2D8XEIU | D-CAMPHORSULFONIC ACID SODIUM SALT | SODIUM (+)-10-CAMPHORSULFONATE | (S)-10-CAMPHORSULFONIC A

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200561
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200561
• Canonical Smiles: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C.[Na+]
• IUPAC Name: sodium;[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate
• InChIKey: AWMAOFAHBPCBHJ-YZUKSGEXSA-M
• INCHI: 1S/C10H16O4S.Na/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1/t7-,10-;/m1./s1
• Isomeric SMILES: CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)[O-])C.[Na+]
• PubChem CID: 23692755
• Molecular Weight: 254.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Sulfonyls Organosulfonic acids Alkanesulfonic acids Ketones Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bornane monoterpenoid - Bicyclic monoterpenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Ketone - Organic alkali metal salt - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic cation - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

• Molecular Weight: 254.280 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 254.059 Da
• Monoisotopic Mass: 254.059 Da
• Topological Polar Surface Area: 82.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 409.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

References

1. Yanxing Zheng, Jiwei Wang, Xinqiao Tang, Lei Zhang, Fanbao Meng.  (2019)  Liquid-crystalline behavior and ferroelectric property of viologen-based ionic liquid crystals.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2019.112369]

2. Shengwen Kong, Xiaodong Wang, Lu Bai, Ying Song, Fanbao Meng.  (2019)  Multi-arm ionic liquid crystals formed by pyridine-mesophase and copper phthalocyanine.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2019.111012]