4-Methoxyphenyl 3-O-Benzyl-β-D-glucopyranoside - ≥98%(HPLC) , CAS No.303127-80-2

CAS: 303127-80-2 Cat. No.: M158454 Molecular Weight: 376.41 PubChem CID: 10547525

GRADE & PURITY ≥98%(HPLC)

Synonyms

HY-W145589 | (2R,3R,4S,5R,6S)-4-(Benzyloxy)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,5-diol | (2R,3R,4S,5R,6S)-4-(BENZYLOXY)-2-(HYDROXYMETHYL)-6-(4-METHOXYPHENOXY)OXANE-3,5-DIOL | AKOS027320255 | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

HY-W145589 | (2R, 3R, 4S, 5R, 6S)-4-(Benzyloxy)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3, 5-diol | (2R, 3R, 4S, 5R, 6S)-4-(BENZYLOXY)-2-(HYDROXYMETHYL)-6-(4-METHOXYPHENOXY)OXANE-3, 5-DIOL | AKOS027320255 | (2R, 3R, 4S, 5R, 6S)-2-(hydroxymethyl)-6-(4-

Specifications & Purity

≥98%(HPLC)

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

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)OCC3=CC=CC=C3)O
• IUPAC Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)-4-phenylmethoxyoxane-3,5-diol
• InChIKey: CZPFTCBIXZWFIZ-LTFPLMDUSA-N
• INCHI: 1S/C20H24O7/c1-24-14-7-9-15(10-8-14)26-20-18(23)19(17(22)16(11-21)27-20)25-12-13-5-3-2-4-6-13/h2-10,16-23H,11-12H2,1H3/t16-,17-,18-,19+,20-/m1/s1
• Isomeric SMILES: COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OCC3=CC=CC=C3)O
• PubChem CID: 10547525
• Molecular Weight: 376.41
• Reaxy-Rn: 8720168

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 O-glycosyl compounds Benzylethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Oxanes Secondary alcohols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Benzylether - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Secondary alcohol - Ether - Dialkyl ether - Organoheterocyclic compound - Acetal - Oxacycle - Alcohol - Hydrocarbon derivative - Primary alcohol - 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

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Molecular Weight: 376.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 376.152 Da
• Monoisotopic Mass: 376.152 Da
• Topological Polar Surface Area: 97.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 421.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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: 1