Methyl 2,3-di-O-benzyl-α-D-glucopyranoside - ≥97%(HPLC) , CAS No.17791-36-5

CAS: 17791-36-5 Cat. No.: M471728 Molecular Weight: 374.43

GRADE & PURITY ≥97%(HPLC)

Synonyms

NSC92309 | NSC-92309 | SCHEMBL21706804 | Methyl 2,3-di-O-benzylhexopyranoside | Methyl .alpha.-d-glucoside, 2,3-dibenzyl- | 2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol | DTXSID10293789 | NSC170185 | NSC-170185 | SB48865 | AOHYQGVMTDLXSL-UH

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

NSC92309 | NSC-92309 | SCHEMBL21706804 | Methyl 2, 3-di-O-benzylhexopyranoside | Methyl .alpha.-d-glucoside, 2, 3-dibenzyl- | 2-(hydroxymethyl)-6-methoxy-4, 5-bis(phenylmethoxy)oxan-3-ol | DTXSID10293789 | NSC170185 | NSC-170185 | SB48865 | AOHYQGVMTDLXSL-UH

Specifications & Purity

≥97%(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

≥97%(HPLC)

Names and Identifiers

• Pubchem Sid: 488189115
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189115
• Canonical Smiles: COC1C(C(C(C(O1)CO)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
• IUPAC Name: 2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
• InChIKey: AOHYQGVMTDLXSL-UHFFFAOYSA-N
• INCHI: 1S/C21H26O6/c1-24-21-20(26-14-16-10-6-3-7-11-16)19(18(23)17(12-22)27-21)25-13-15-8-4-2-5-9-15/h2-11,17-23H,12-14H2,1H3
• Isomeric SMILES: COC1C(C(C(C(O1)CO)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3
• WGK Germany: 3
• Molecular Weight: 374.43
• Reaxy-Rn: 6689367
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6689367&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Benzylethers Oxanes Monosaccharides Secondary alcohols Oxacyclic compounds Dialkyl ethers Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: O-glycosyl compound - Benzylether - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Secondary alcohol - Organoheterocyclic compound - Ether - Dialkyl ether - Acetal - Oxacycle - Primary alcohol - Hydrocarbon derivative - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• 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: Moisture sensitive
• Specific Rotation[α]: [α]22/D +14.0°, c = 1% in chloroform
• Melt Point(°C): 76-81 °C
• Molecular Weight: 374.400 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 374.173 Da
• Monoisotopic Mass: 374.173 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 407.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 5
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1