Benzyl 2-Deoxy-2-phthalimido-4,6-O-benzylidene-β-D-glucopyranoside - ≥97% , CAS No.80035-33-2

CAS: 80035-33-2 Cat. No.: B348236 Molecular Weight: 487.5 PubChem CID: 54488527

GRADE & PURITY ≥97%

Synonyms

Benzyl 2-Deoxy-2-phthalimido-4,6-O-benzylidene-beta-D-glucopyranoside | 2-[(4aR,6R,7R,8R,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione | 2-((4AR,6R,7R,8R,8aS)-6-(benzyloxy)-8-hydroxy-2-phe

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Benzyl 2-Deoxy-2-phthalimido-4, 6-O-benzylidene-beta-D-glucopyranoside | 2-[(4aR, 6R, 7R, 8R, 8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4, 4a, 6, 7, 8, 8a-hexahydropyrano[3, 2-d][1, 3]dioxin-7-yl]isoindole-1, 3-dione | 2-((4AR, 6R, 7R, 8R, 8aS)-6-(benzyloxy)-8-hydroxy-2-phe

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

• Canonical Smiles: C1C2C(C(C(C(O2)OCC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)O)OC(O1)C6=CC=CC=C6
• IUPAC Name: 2-[(4aR,6R,7R,8R,8aS)-8-hydroxy-2-phenyl-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
• InChIKey: XUBZHIFTRFYZLL-XSVWMRDFSA-N
• INCHI: 1S/C28H25NO7/c30-23-22(29-25(31)19-13-7-8-14-20(19)26(29)32)28(33-15-17-9-3-1-4-10-17)35-21-16-34-27(36-24(21)23)18-11-5-2-6-12-18/h1-14,21-24,27-28,30H,15-16H2/t21-,22-,23-,24-,27?,28-/m1/s1
• Isomeric SMILES: C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)O)OC(O1)C6=CC=CC=C6
• PubChem CID: 54488527
• Molecular Weight: 487.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Amino sugars
            • Level7 Acylaminosugars

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Amino sugars
• Direct Parent: Acylaminosugars
• Alternative Parents: N-acyl-alpha-hexosamines Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Phthalimides Pyrrolidine-2-ones Oxanes N-substituted carboxylic acid imides N-alkylpyrrolidines N-acyl amines Monosaccharides Benzene and substituted derivatives 1,3-dioxanes Dicarboximides Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acylaminosugar - N-acyl-alpha-hexosamine - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - Phthalimide - Isoindolone - Isoindole or derivatives - Isoindoline - Fatty acyl - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Oxane - Carboxylic acid imide, n-substituted - N-acyl-amine - Monosaccharide - Monocyclic benzene moiety - Meta-dioxane - Pyrrolidine - Dicarboximide - Carboxylic acid imide - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.
• 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, Dichloromethane and Methanol
• Sensitivity: Moisture sensitive
• Melt Point(°C): 180-182°C (lit.)
• Molecular Weight: 487.500 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 487.163 Da
• Monoisotopic Mass: 487.163 Da
• Topological Polar Surface Area: 94.500 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 771.000
• 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