5-O-Allyl-2,3,4-tri-O-benzyl-D-ribitol - ≥90% , CAS No.111549-97-4

CAS: 111549-97-4 Cat. No.: O340569 Peso molecular: 462.59 PubChem CID: 10885065

GRADE & PURITY ≥90%

Synonyms

W-200830 | 2,3,4-Tri-O-benzyl-5-O-prop-2-en-1-yl-D-ribitol | (2S,3S,4R)-5-(Allyloxy)-2,3,4-tris(benzyloxy)pentan-1-ol | (2S,3S,4R)-5-Allyloxy-3-benzyloxy-2,4-bis-((E)-2- | (2S,3S,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentan-1-ol | DTXSID00447052 | A

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Product Describtion:

5-O-Allyl-2,3,4-tri-O-benzyl-D-ribitol is an acid that has been used in preparative organic chemistry. It is a benzyloxymethyl derivative of ribose, which can be converted to the corresponding methyl ether by hydrolysis with sodium methoxide in methanol. 5-O-Allyl-2,3,4-tri-O-benzyl-D-ribitol functions as an isomer and dimerization reagent for the preparation of propenyl derivatives. 5-O-Allyl 2,3,4 tri O benzyl D ribitol has been shown to inhibit Influenza A H1N1 strains in vitro with a 50% inhibitory concentration (IC50) of 1 μM.

Specifications

Sinónimos

W-200830 | 2, 3, 4-Tri-O-benzyl-5-O-prop-2-en-1-yl-D-ribitol | (2S, 3S, 4R)-5-(Allyloxy)-2, 3, 4-tris(benzyloxy)pentan-1-ol | (2S, 3S, 4R)-5-Allyloxy-3-benzyloxy-2, 4-bis-((E)-2- | (2S, 3S, 4R)-2, 3, 4-tris(phenylmethoxy)-5-prop-2-enoxypentan-1-ol | DTXSID00447052 | A

Especificaciones y pureza

≥90%

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

≥90%

Nombres e identificadores

• Pubchem Sid: 504765679
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765679
• Sonrisas canónicas: C=CCOCC(C(C(CO)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
• IUPAC Name: (2S,3S,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentan-1-ol
• InChIKey: PBGRBWYIGUUVHW-NHKHRBQYSA-N
• INCHI: 1S/C29H34O5/c1-2-18-31-23-28(33-21-25-14-8-4-9-15-25)29(34-22-26-16-10-5-11-17-26)27(19-30)32-20-24-12-6-3-7-13-24/h2-17,27-30H,1,18-23H2/t27-,28+,29-/m0/s1
• Isómeros SMILES: C=CCOC[C@H]([C@H]([C@H](CO)OCC1=CC=CC=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
• PubChem CID: 10885065
• Peso molecular: 462.59

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: Monosaccharides Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Monosaccharide - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic 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

• Sensibilidad: light sensitive
• Peso molecular: 462.600 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 462.241 Da
• Monoisotopic Mass: 462.241 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 509.000
• 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