(−)-(4,6-O-Benzylidene)phenyl-β-D-glucopyranoside - ≥97% , CAS No.75829-66-2

CAS: 75829-66-2 Cat. No.: O351633 Molecular Weight: 344.36

GRADE & PURITY ≥97%

Synonyms

(4AR,6S,7R,8R,8aS)-6-phenoxy-2-phenylhexahydropyrano[3,2-d][1,3]dioxine-7,8-diol | Phenyl 4,6-O-benzylidene-b-D-glucopyranoside | SCHEMBL8656060 | (-)-(4,6-O-Benzylidene)phenyl-beta-D-glucopyranoside | (-)-(4,6-O-Benzylidene)phenyl- beta -D-glucopyranosid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(4AR, 6S, 7R, 8R, 8aS)-6-phenoxy-2-phenylhexahydropyrano[3, 2-d][1, 3]dioxine-7, 8-diol | Phenyl 4, 6-O-benzylidene-b-D-glucopyranoside | SCHEMBL8656060 | (-)-(4, 6-O-Benzylidene)phenyl-beta-D-glucopyranoside | (-)-(4, 6-O-Benzylidene)phenyl- beta -D-glucopyranosid

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199174
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199174
• Canonical Smiles: C1C2C(C(C(C(O2)OC3=CC=CC=C3)O)O)OC(O1)C4=CC=CC=C4
• IUPAC Name: (4aR,6S,7R,8R,8aS)-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
• InChIKey: VEVONSHXUHYXKX-HIQCEYAYSA-N
• INCHI: 1S/C19H20O6/c20-15-16(21)19(23-13-9-5-2-6-10-13)24-14-11-22-18(25-17(14)15)12-7-3-1-4-8-12/h1-10,14-21H,11H2/t14-,15-,16-,17-,18?,19-/m1/s1
• Isomeric SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=CC=C3)O)O)OC(O1)C4=CC=CC=C4
• WGK Germany: 3
• Molecular Weight: 344.36
• Reaxy-Rn: 50086477
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50086477&ln=

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: Pyranodioxins Phenoxy compounds Phenol ethers Oxanes Monosaccharides 1,3-dioxanes Secondary alcohols 1,2-diols Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenolic glycoside - Pyranodioxin - Phenoxy compound - Phenol ether - Meta-dioxane - Monocyclic benzene moiety - Benzenoid - Oxane - Monosaccharide - 1,2-diol - Secondary alcohol - Oxacycle - Acetal - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Boil Point(°C): ~556.2° C at 760 mmHg (Predicted)
• Melt Point(°C): 194-196° C (dec.)
• Molecular Weight: 344.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 344.126 Da
• Monoisotopic Mass: 344.126 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 420.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1