2-chloro-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]benzoic acid - ≥97% , CAS No.842133-80-6

CAS: 842133-80-6 Cat. No.: C634641 Molecular Weight: 679.21 PubChem CID: 11650491

GRADE & PURITY ≥97%

Synonyms

842133-80-6 | 2-Chloro-5-((2S,3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-yl)benzoic acid | 2-chloro-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]benzoic acid | 2-Chloro-5-[2,3,4,6-tetrakis-O-(

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

842133-80-6 | 2-Chloro-5-((2S, 3S, 4R, 5R, 6R)-3, 4, 5-tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-yl)benzoic acid | 2-chloro-5-[(2S, 3S, 4R, 5R, 6R)-3, 4, 5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxan-2-yl]benzoic acid | 2-Chloro-5-[2, 3, 4, 6-tetrakis-O-(

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COCC2C(C(C(C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
• IUPAC Name: 2-chloro-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]benzoic acid
• InChIKey: AHASAGYREFLQPR-CSISHVCHSA-N
• INCHI: 1S/C41H39ClO7/c42-35-22-21-33(23-34(35)41(43)44)37-39(47-26-31-17-9-3-10-18-31)40(48-27-32-19-11-4-12-20-32)38(46-25-30-15-7-2-8-16-30)36(49-37)28-45-24-29-13-5-1-6-14-29/h1-23,36-40H,24-28H2,(H,43,44)/t36-,37+,38-,39+,40+/m1/s1
• PubChem CID: 11650491
• Molecular Weight: 679.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Hexoses C-glycosyl compounds 2-halobenzoic acids Halobenzoic acids Benzoic acids Benzylethers 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Chlorobenzenes Oxanes Aryl chlorides Vinylogous halides Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Hexose monosaccharide - C-glycosyl compound - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzylether - 1-carboxy-2-haloaromatic compound - Benzoyl - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Oxane - Benzenoid - Monosaccharide - Vinylogous halide - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Dialkyl ether - Carboxylic acid - Organochloride - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• 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