Benzyl 4,6-O-Benzylidene-α-D-mannopyranoside - ≥97% , CAS No.40983-94-6

CAS: 40983-94-6 Cat. No.: B348721 Molecular Weight: 358.39 PubChem CID: 54029211

GRADE & PURITY ≥97%

Synonyms

W-202683 | (4aR,6S,7S,8R,8aS)-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol | Benzyl 4,6-O-Benzylidene- | Benzyl 4,6-O-Benzylidene-alpha-D-mannopyranoside | DTXSID201199389 | (4AR,6S,7S,8R,8aS)-6-(benzyloxy)-2-phenylhe

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

W-202683 | (4aR, 6S, 7S, 8R, 8aS)-2-phenyl-6-phenylmethoxy-4, 4a, 6, 7, 8, 8a-hexahydropyrano[3, 2-d][1, 3]dioxine-7, 8-diol | Benzyl 4, 6-O-Benzylidene- | Benzyl 4, 6-O-Benzylidene-alpha-D-mannopyranoside | DTXSID201199389 | (4AR, 6S, 7S, 8R, 8aS)-6-(benzyloxy)-2-phenylhe

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504771304
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771304
• Canonical Smiles: C1C2C(C(C(C(O2)OCC3=CC=CC=C3)O)O)OC(O1)C4=CC=CC=C4
• IUPAC Name: (4aR,6S,7S,8R,8aS)-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
• InChIKey: LEJLVYJUXVHIJN-LOZDCHMLSA-N
• INCHI: 1S/C20H22O6/c21-16-17(22)20(23-11-13-7-3-1-4-8-13)25-15-12-24-19(26-18(15)16)14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15-,16-,17+,18-,19?,20+/m1/s1
• Isomeric SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OCC3=CC=CC=C3)O)O)OC(O1)C4=CC=CC=C4
• PubChem CID: 54029211
• Molecular Weight: 358.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acyl glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acyl glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acyl glycosides of mono- and disaccharides
• Alternative Parents: Alkyl glycosides Oxanes Monosaccharides Benzene and substituted derivatives 1,3-dioxanes Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Meta-dioxane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
• 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: Soluble in Chloroform and Ethyl Acetate
• Sensitivity: Hygroscopic
• Melt Point(°C): 147-149°C (lit.)
• Molecular Weight: 358.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 358.142 Da
• Monoisotopic Mass: 358.142 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 434.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1