4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-α-D-mannopyranoside - ≥98% , CAS No.17042-40-9

CAS: 17042-40-9 Cat. No.: M157928 Molecular Weight: 454.43

GRADE & PURITY ≥98%

Synonyms

[(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate | T71910 | 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-a-D-mannopyranoside | (2R,3R,4S,5S,6R)-2-(Acetoxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate | A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

[(2R, 3R, 4S, 5S, 6R)-3, 4, 5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate | T71910 | 4-Methoxyphenyl 2, 3, 4, 6-tetra-O-acetyl-a-D-mannopyranoside | (2R, 3R, 4S, 5S, 6R)-2-(Acetoxymethyl)-6-(4-methoxyphenoxy)tetrahydro-2H-pyran-3, 4, 5-triyl triacetate | A

Specifications & Purity

≥98%

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%

Names and Identifiers

• Pubchem Sid: 488198401
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198401
• Canonical Smiles: CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)OC)OC(=O)C)OC(=O)C)OC(=O)C
• IUPAC Name: [(2R,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
• InChIKey: RPHXBVOPPUTUES-MJCUULBUSA-N
• INCHI: 1S/C21H26O11/c1-11(22)27-10-17-18(28-12(2)23)19(29-13(3)24)20(30-14(4)25)21(32-17)31-16-8-6-15(26-5)7-9-16/h6-9,17-21H,10H2,1-5H3/t17-,18-,19+,20+,21+/m1/s1
• Isomeric SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2=CC=C(C=C2)OC)OC(=O)C)OC(=O)C)OC(=O)C
• WGK Germany: 3
• Molecular Weight: 454.43
• Reaxy-Rn: 27294244
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27294244&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: Tetracarboxylic acids and derivatives O-glycosyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Oxanes Monosaccharides Carboxylic acid esters Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Tetracarboxylic acid or derivatives - O-glycosyl compound - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Carboxylic acid ester - Ether - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - 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

Chemical and Physical Properties

• Solubility: Slightly soluble in Chloroform
• Sensitivity: Heat Sensitive
• Specific Rotation[α]: 72° (C=1,CHCl3)
• Melt Point(°C): 102 °C
• Molecular Weight: 454.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 454.148 Da
• Monoisotopic Mass: 454.148 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 671.000
• 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