Isosaccharinic acid-1,4-lactone - ≥95% , CAS No.7397-89-9

CAS: 7397-89-9 Cat. No.: I358557 Peso molecular: 162.14

GRADE & PURITY ≥95%

Synonyms

(3S,5S)-3-hydroxy-3,5-bis(hydroxymethyl)tetrahydrofuran-2-one | Beta-D-isosaccharino-1,4-lactone | 3-Deoxy-2-C-(hydroxymethyl)-D-erythro-pentonic acid gamma-lactone | (3S,5S)-3-Hydroxy-3,5-bis-hydroxymethyl-dihydro-furan-2-one | alpha-D-Isosaccharin | 3-d

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product Describtion:

Isosaccharinic Acid-1,4-lactone (cas# 7397-89-9) is a useful reagent in the preparation of uranium oxo isosaccharinate isosaccharinatelactone complexes.

Specifications

Sinónimos

(3S, 5S)-3-hydroxy-3, 5-bis(hydroxymethyl)tetrahydrofuran-2-one | Beta-D-isosaccharino-1, 4-lactone | 3-Deoxy-2-C-(hydroxymethyl)-D-erythro-pentonic acid gamma-lactone | (3S, 5S)-3-Hydroxy-3, 5-bis-hydroxymethyl-dihydro-furan-2-one | alpha-D-Isosaccharin | 3-d

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504753923
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753923
• Sonrisas canónicas: C1C(OC(=O)C1(CO)O)CO
• IUPAC Name: (3S,5S)-3-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-one
• InChIKey: KMUZIMNQBZNRHZ-NJGYIYPDSA-N
• INCHI: 1S/C6H10O5/c7-2-4-1-6(10,3-8)5(9)11-4/h4,7-8,10H,1-3H2/t4-,6-/m0/s1
• Isómeros SMILES: C1[C@H](OC(=O)[C@]1(CO)O)CO
• Peso molecular: 162.14
• Reaxy-Rn: 82505
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82505&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Lactones
      • Subclass Gamma butyrolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Lactones
• Subclass: Gamma butyrolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Gamma butyrolactones
• Alternative Parents: Tetrahydrofurans Tertiary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Gamma butyrolactone - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as gamma butyrolactones. These are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen 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

Propiedades químicas y físicas

• Punto de fusión (°C): 95-97° C
• Peso molecular: 162.140 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 162.053 Da
• Monoisotopic Mass: 162.053 Da
• Topological Polar Surface Area: 87.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 168.000
• 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: 1