Ferric tartrate - Fe, ~20% , CAS No.2944-68-5

CAS: 2944-68-5 Cat. No.: F332028 Molecular Weight: 555.9 EC Number: 220-953-8 PubChem CID: 6451484

GRADE & PURITY Fe, ~20%

Synonyms

(2R,3R)-2,3-Dihydroxybutanedioic acid, Iron (3+) salt (3:2) | Ferric tartrate | Iron(III) tartrate | DTXSID50951957 | AKOS015904639 | Iron(3+) 2,3-dihydroxybutanedioate (2/3) | 2,3-dihydroxybutanedioate;iron(3+) | J-017519

Storage

Room temperature

Shipped In

Normal

Overview

Ferric tartrate is an additive used to assess the spinnability of cellulose / alkaline ferric tartrate solutions.

Specifications

Synonyms

(2R, 3R)-2, 3-Dihydroxybutanedioic acid, Iron (3+) salt (3:2) | Ferric tartrate | Iron(III) tartrate | DTXSID50951957 | AKOS015904639 | Iron(3+) 2, 3-dihydroxybutanedioate (2/3) | 2, 3-dihydroxybutanedioate;iron(3+) | J-017519

Specifications & Purity

Fe, ~20%

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504764220
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764220
• Canonical Smiles: C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.[Fe+3].[Fe+3]
• IUPAC Name: 2,3-dihydroxybutanedioate;iron(3+)
• InChIKey: SFOKDWPZOYRZFF-UHFFFAOYSA-H
• INCHI: 1S/3C4H6O6.2Fe/c3*5-1(3(7)8)2(6)4(9)10;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;/q;;;2*+3/p-6
• Isomeric SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.[Fe+3].[Fe+3]
• WGK Germany: 3
• PubChem CID: 6451484
• Molecular Weight: 555.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Monosaccharides Fatty acids and conjugates Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid salts Organic transition metal salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Not available
• Substituents: Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Dicarboxylic acid or derivatives - Monosaccharide - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Organic transition metal salt - Carboxylic acid - Alcohol - Organic oxygen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 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

• Molecular Weight: 555.900 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 3
• Exact Mass: 555.872 Da
• Monoisotopic Mass: 555.872 Da
• Topological Polar Surface Area: 362.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 123.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 6
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3