D-Isoascorbic acid Na salt - ≥98% , CAS No.6381-77-7

CAS: 6381-77-7 Cat. No.: I105660 Peso molecular: 198.12 Número EC: 228-973-9

GRADE & PURITY ≥98%

Synonyms

Eribate N | SODIUM ERYTHORBATE | DTXSID5020570 | Isoascorbic acid sodium salt | SODIUM ERYTHORBATE [HSDB] | UNII-BZ468R6XRD | HSDB 741 | Isoascorbic acid, sodium salt | Monosodium D-erythro-hex-2-enonic acid gamma-lactone | Scrub | Araboascorbic acid mono

Storage

Protected from light,Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

Eribate N | SODIUM ERYTHORBATE | DTXSID5020570 | Isoascorbic acid sodium salt | SODIUM ERYTHORBATE [HSDB] | UNII-BZ468R6XRD | HSDB 741 | Isoascorbic acid, sodium salt | Monosodium D-erythro-hex-2-enonic acid gamma-lactone | Scrub | Araboascorbic acid mono

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200520
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200520
• Sonrisas canónicas: C(C(C1C(=C(C(=O)O1)O)[O-])O)O.[Na+]
• IUPAC Name: sodium;(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-olate
• InChIKey: PPASLZSBLFJQEF-RKJRWTFHSA-M
• INCHI: 1S/C6H8O6.Na/c7-1-2(8)5-3(9)4(10)6(11)12-5;/h2,5,7-10H,1H2;/q;+1/p-1/t2-,5-;/m1./s1
• Isómeros SMILES: C([C@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Na+]
• RTECS: MP8910000
• Peso molecular: 198.12
• Reaxy-Rn: 14250097
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14250097&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butenolides
• Alternative Parents: Vinylogous acids Enoate esters Secondary alcohols Lactones 1,2-diols Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-furanone - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - 1,2-diol - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic alkali metal salt - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic oxygen compound - Primary alcohol - Organooxygen compound - Alcohol - Carbonyl group - Organic salt - Organic sodium salt - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon 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

• Solubilidad: Solubility in Water almost transparency
• Sensibilidad: Light sensitive
• Rotación específica [α]: 97 ° (C=10, H2O)
• Punto de fusión (°C): 154-164°C
• Peso molecular: 198.110 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 198.014 Da
• Monoisotopic Mass: 198.014 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 237.000
• 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. Tang Chengcheng, Wang Bin, Xing Wei, Hu Donghua, Yang Jing.  (2015)  Titania photoanode prepared by chloroplast biotemplate for photoelectrochemical biofuel cell.  Journal of the Iranian Chemical Society,  13  (2): (261-266).  [PMID:] [10.1007/s13738-015-0733-6]

2. Hao Cheng, Pengcheng Zhou, Jun Mei, Jing Xie.  (2024)  Effect of sodium alginate-locust bean gum ice glazing containing different antioxidants on quality of mackerel (Pneumatophorus japonicus) during frozen storage.  INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY,  59  (8): (5430-5439).  [PMID:] [10.1111/ijfs.17252]