Iron saccharate - ≥70% , CAS No.8047-67-4

CAS: 8047-67-4 Cat. No.: I339972 Peso molecular: 736.06 Número EC: 232-464-7 PubChem CID: 11377634

GRADE & PURITY ≥70%

Synonyms

CCG-270421 | iron(3+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate | Iron(III) (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate | E79255 | IRON SACCHARATE | Iron(III)(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Iron sucrose (Iron saccharate) is an intravenous iron preparation and a pro-oxidant. Iron sucrose can be used in the study of iron deficiency anemia.

Specifications

Sinónimos

CCG-270421 | iron(3+);(2S, 3S, 4S, 5R)-2, 3, 4, 5-tetrahydroxyhexanedioate | Iron(III) (2R, 3S, 4S, 5S)-2, 3, 4, 5-tetrahydroxyhexanedioate | E79255 | IRON SACCHARATE | Iron(III)(2R, 3S, 4S, 5S)-2, 3, 4, 5-tetrahydroxyhexanedioate

Especificaciones y pureza

≥70%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥70%

Nombres e identificadores

• Pubchem Sid: 488197449
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197449
• Sonrisas canónicas: C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.[Fe+3].[Fe+3]
• IUPAC Name: iron(3+);(2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
• InChIKey: ADQSUDSYBZBMFT-GFPJEPEZSA-H
• INCHI: 1S/3C6H10O8.2Fe/c3*7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h3*1-4,7-10H,(H,11,12)(H,13,14);;/q;;;2*+3/p-6/t3*1-,2-,3-,4+;;/m000../s1
• Isómeros SMILES: [C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O.[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O.[C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O.[Fe+3].[Fe+3]
• PubChem CID: 11377634
• Peso molecular: 736.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Glucuronic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives
• Direct Parent: Glucuronic acid derivatives
• Alternative Parents: Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Monosaccharides Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid salts Polyols Organic transition metal salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Glucuronic acid or derivatives - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Hydroxy acid - Monosaccharide - Carboxylic acid salt - Secondary alcohol - Organic transition metal salt - Carboxylic acid - Carboxylic acid derivative - Polyol - Organic salt - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as glucuronic acid derivatives. These are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
• 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): 179-185° C
• Peso molecular: 736.100 g/mol
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 9
• Exact Mass: 735.936 Da
• Monoisotopic Mass: 735.936 Da
• Topological Polar Surface Area: 484.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 191.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• 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: 5

XLogP3

Referencias

1. Ling Sun, Lan Ding, Qiuyan Zhang, Jinke Yu, Yufei Cao, Xiaohui Liu, Yuanlin Ren, Yuesheng Li.  (2023)  Combination of bio-based tannic acid, sophora flower extract and metal salts: A facile route towards improving durable flame retardancy and UV resistance of silk fabrics.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2023.108067]