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

CAS: 21791-94-6 Cat. No.: S182830 Peso molecular: 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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200561
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200561
• Sonrisas canónicas: 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
• Isómeros SMILES: CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)[O-])C.[Na+]
• PubChem CID: 23692755
• Peso molecular: 254.3

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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

Referencias

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]