Calcium α-D-heptagluconate hydrate - ≥98% , CAS No.17140-60-2

CAS: 17140-60-2 Cat. No.: C352040 Peso molecular: 490.42 (anhydrous basis) Número EC: 241-203-6

GRADE & PURITY ≥98%

Synonyms

45E26F1TPT | calcium bis((2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate) | D-glycero-D-gulo-Heptonic acid, calcium salt (2:1) | SCHEMBL517448 | Calcium glucoheptonate | calcium;(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate | CALCIUMGLUCOHEPTONATE

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Product description：

NSC 42196 is an endogenous metabolite.

Specifications

Sinónimos

45E26F1TPT | calcium bis((2R, 3R, 4S, 5R, 6R)-2, 3, 4, 5, 6, 7-hexahydroxyheptanoate) | D-glycero-D-gulo-Heptonic acid, calcium salt (2:1) | SCHEMBL517448 | Calcium glucoheptonate | calcium;(2R, 3R, 4S, 5R, 6R)-2, 3, 4, 5, 6, 7-hexahydroxyheptanoate | CALCIUMGLUCOHEPTONATE

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Ca+2]
• IUPAC Name: calcium;(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
• InChIKey: FATUQANACHZLRT-XBQZYUPDSA-L
• INCHI: 1S/2C7H14O8.Ca/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2/t2*2-,3-,4+,5-,6-;/m11./s1
• Isómeros SMILES: C([C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)[O-])O)O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Ca+2]
• WGK Alemania: 3
• RTECS: MA7980000
• Peso molecular: 490.42 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Heptoses Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Hydroxy fatty acids Secondary alcohols Carboxylic acid salts Polyols Organic calcium salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
• Molecular Framework: Not available
• Substituents: Heptose monosaccharide - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Sugar acid - Fatty acyl - Fatty acid - Hydroxy acid - Monosaccharide - Carboxylic acid salt - Secondary alcohol - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Polyol - Hydrocarbon derivative - Alcohol - Organic oxide - Organic salt - Organic zwitterion - Primary alcohol - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• 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

• Rotación específica [α]: α20/D +2°±0.2°, c = 5% in water
• Peso molecular: 490.420 g/mol
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 10
• Exact Mass: 490.085 Da
• Monoisotopic Mass: 490.085 Da
• Topological Polar Surface Area: 323.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 202.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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: 3

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