2,3,4,6-Tetra-O-benzyl-α-D-glucopyranosyl Fluoride - ≥97% , CAS No.89025-46-7

CAS: 89025-46-7 Cat. No.: T161503 Molecular Weight: 542.65 PubChem CID: 11092783

GRADE & PURITY ≥97%

Synonyms

(2R,3R,4S,5R,6R)-3,4,5-Tris(benzyloxy)-2-((benzyloxy)methyl)-6-fluorotetrahydro-2H-pyran | AKOS015888992 | SCHEMBL2124878 | T73043 | MFCD03701104 | 2,3,4,6-Tetra-O-benzyl- | A-D-glucopyranosyl Fluoride | HY-W145636 | 2,3,4,6-Tetra-O-benzyl-alpha-D-glucopy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(2R, 3R, 4S, 5R, 6R)-3, 4, 5-Tris(benzyloxy)-2-((benzyloxy)methyl)-6-fluorotetrahydro-2H-pyran | AKOS015888992 | SCHEMBL2124878 | T73043 | MFCD03701104 | 2, 3, 4, 6-Tetra-O-benzyl- | A-D-glucopyranosyl Fluoride | HY-W145636 | 2, 3, 4, 6-Tetra-O-benzyl-alpha-D-glucopy

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COCC2C(C(C(C(O2)F)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
• IUPAC Name: (2R,3R,4S,5R,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
• InChIKey: QNXIKNZDQVSBCO-RUOAZZEASA-N
• INCHI: 1S/C34H35FO5/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-34H,21-25H2/t30-,31-,32+,33-,34+/m1/s1
• Isomeric SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)F)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
• PubChem CID: 11092783
• Molecular Weight: 542.65
• Reaxy-Rn: 3658641

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Oxanes Monosaccharides Oxacyclic compounds Dialkyl ethers Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylether - Oxane - Monosaccharide - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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: Heat Sensitive
• Specific Rotation[α]: 3° (C=1,CHCl3)
• Melt Point(°C): 69 °C
• Molecular Weight: 542.600 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 542.247 Da
• Monoisotopic Mass: 542.247 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 669.000
• 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