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

CAS: 6381-77-7 Cat. No.: I105660 Molecular Weight: 198.12 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200520
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200520
• Canonical Smiles: 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
• Isomeric SMILES: C([C@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Na+]
• RTECS: MP8910000
• Molecular Weight: 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
    • Class Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility in Water almost transparency
• Sensitivity: Light sensitive
• Specific Rotation[α]: 97 ° (C=10, H2O)
• Melt Point(°C): 154-164°C
• Molecular Weight: 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

References

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]