Dextrin - AR , CAS No.9004-53-9

CAS: 9004-53-9 Cat. No.: D104350 EC Number: 232-675-4

GRADE & PURITY AR

Synonyms

Dextrine | Dextrid | Nutriose | all-E)-9-(4-Methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoicacidethylester | A843422 | Corn dextrin | Maltodextrin, dextrose equivalent 16-20 | D4657 | FYGDTMLNYKFZSV-MRCIVHHJSA-N | Q177570 | Dextrin | AKO

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Usually used in nutrition studies to understand the effects of fiber in diets on energy levels, intestinal flora, digestion and other physiological processes.

Specifications

Synonyms

Dextrine | Dextrid | Nutriose | all-E)-9-(4-Methoxy-2, 3, 6-trimethylphenyl)-3, 7-dimethyl-2, 4, 6, 8-nonatetraenoicacidethylester | A843422 | Corn dextrin | Maltodextrin, dextrose equivalent 16-20 | D4657 | FYGDTMLNYKFZSV-MRCIVHHJSA-N | Q177570 | Dextrin | AKO

Specifications & Purity

AR

Storage

Argon charged, Room temperature

Shipped In

Normal

Grade

AR

Names and Identifiers

• Pubchem Sid: 504753875
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753875
• Canonical Smiles: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O
• IUPAC Name: (3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• InChIKey: FYGDTMLNYKFZSV-MRCIVHHJSA-N
• INCHI: 1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?/m1/s1
• Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O
• WGK Germany: 1
• RTECS: HH9450000
• Reaxy-Rn: 35986877
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35986877&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Oligosaccharides
• Alternative Parents: O-glycosyl compounds Oxanes Secondary alcohols Hemiacetals Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide - O-glycosyl compound - Glycosyl compound - Oxane - Secondary alcohol - Hemiacetal - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
• 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: Soluble in hot water (0.1 g/ml).
• Sensitivity: Hygroscopic.
• Molecular Weight: 504.400 g/mol
• XLogP3: -6.900
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 504.169 Da
• Monoisotopic Mass: 504.169 Da
• Topological Polar Surface Area: 269.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 641.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 13
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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