4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-β-D-glucopyanoside - ≥98% , CAS No.14581-81-8

CAS: 14581-81-8 Cat. No.: M158452 Peso molecular: 454.43

GRADE & PURITY ≥98%

Synonyms

4-Methoxyphenyl 2,3,4,6-Tetra-O-acetyl-beta-D-glucopyanoside | [(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate | 4-Methoxyphenyl 2,3,4,6-tetra-O-acetyl-b-D-glucopyranoside | b-D-Glucopyranoside,4-methoxyphenyl, 2,3,4,6

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

4-Methoxyphenyl 2, 3, 4, 6-Tetra-O-acetyl-beta-D-glucopyanoside | [(2R, 3R, 4S, 5R, 6S)-3, 4, 5-tris(acetyloxy)-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate | 4-Methoxyphenyl 2, 3, 4, 6-tetra-O-acetyl-b-D-glucopyranoside | b-D-Glucopyranoside, 4-methoxyphenyl, 2, 3, 4, 6

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504765918
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765918
• Sonrisas canónicas: 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,5R,6S)-3,4,5-triacetyloxy-6-(4-methoxyphenoxy)oxan-2-yl]methyl acetate
• InChIKey: RPHXBVOPPUTUES-YMQHIKHWSA-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
• Isómeros 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
• Peso molecular: 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
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in Chloroform
• Sensibilidad: Heat Sensitive;light sensitive
• Rotación específica [α]: -16° (C=1,CHCl3)
• Peso molecular: 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