4-Methoxyphenyl α-D-Mannopyranoside - ≥98%(HPLC) , CAS No.28541-75-5

CAS: 28541-75-5 Cat. No.: M157793 Molecular Weight: 286.28

GRADE & PURITY ≥98%(HPLC)

Synonyms

FT-0700976 | alpha-D-Mannopyranoside, 4-methoxyphenyl | DTXSID20593363 | T72226 | W-202194 | SCHEMBL8388035 | 4-Methoxyphenyl alpha-D-Mannopyranoside | 4-Methoxyphenyl-D-mannopyranoside | 4-Methoxyphenyl a-D-mannopyranoside | M1646 | AS-62688 | (2R,3S,4S,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

FT-0700976 | alpha-D-Mannopyranoside, 4-methoxyphenyl | DTXSID20593363 | T72226 | W-202194 | SCHEMBL8388035 | 4-Methoxyphenyl alpha-D-Mannopyranoside | 4-Methoxyphenyl-D-mannopyranoside | 4-Methoxyphenyl a-D-mannopyranoside | M1646 | AS-62688 | (2R, 3S, 4S,

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

• Pubchem Sid: 504768698
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768698
• Canonical Smiles: COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
• IUPAC Name: (2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
• InChIKey: SIXFVXJMCGPTRB-BNDIWNMDSA-N
• INCHI: 1S/C13H18O7/c1-18-7-2-4-8(5-3-7)19-13-12(17)11(16)10(15)9(6-14)20-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12+,13+/m1/s1
• Isomeric SMILES: COC1=CC=C(C=C1)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• Molecular Weight: 286.28
• Reaxy-Rn: 24950018
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24950018&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: Hexoses O-glycosyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Secondary alcohol - Organoheterocyclic compound - Ether - Acetal - Oxacycle - Polyol - Hydrocarbon derivative - Alcohol - 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Slightly soluble in Methanol
• Sensitivity: Heat Sensitive
• Specific Rotation[α]: 124° (C=1,MeOH)
• Melt Point(°C): 156 °C
• Molecular Weight: 286.280 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 286.105 Da
• Monoisotopic Mass: 286.105 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 292.000
• 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