Tri-O-benzyl-D-glucal - ≥98% , CAS No.55628-54-1

CAS: 55628-54-1 Cat. No.: T114789 Peso molecular: 416.51 Beilstein Registry Number: 1691968 PubChem CID: 11742644

GRADE & PURITY ≥98%

Synonyms

1,5-Anhydro-2-deoxy-D-arabino-hex-1-enitol 3,4,6-Tribenzyl Ether | AMY34382 | SCHEMBL1578789 | 3,4,6-Tri-O-benzyl-D-glucal | MFCD00061640 | AKOS016010555 | (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran | 1,5-Anhydro-3,4,6-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1, 5-Anhydro-2-deoxy-D-arabino-hex-1-enitol 3, 4, 6-Tribenzyl Ether | AMY34382 | SCHEMBL1578789 | 3, 4, 6-Tri-O-benzyl-D-glucal | MFCD00061640 | AKOS016010555 | (2R, 3S, 4R)-3, 4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3, 4-dihydro-2H-pyran | 1, 5-Anhydro-3, 4, 6-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

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: 504766694
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766694
• Sonrisas canónicas: C1=CC=C(C=C1)COCC2C(C(C=CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
• IUPAC Name: (2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3,4-dihydro-2H-pyran
• InChIKey: MXYLLYBWXIUMIT-PFBJBMPXSA-N
• INCHI: 1S/C27H28O4/c1-4-10-22(11-5-1)18-28-21-26-27(31-20-24-14-8-3-9-15-24)25(16-17-29-26)30-19-23-12-6-2-7-13-23/h1-17,25-27H,18-21H2/t25-,26-,27+/m1/s1
• Isómeros SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H](C=CO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
• WGK Alemania: 3
• PubChem CID: 11742644
• Peso molecular: 416.51
• Beilstein: 1691968
• Reaxy-Rn: 1691968

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylether - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, easily soluble in CHCl3
• Sensibilidad: heat ＆ moisture sensitive
• Rotación específica [α]: -2 ° (C=2.5, CH3CN)
• Punto de fusión (°C): 57-58°C
• Peso molecular: 416.500 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 416.199 Da
• Monoisotopic Mass: 416.199 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 503.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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