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

CAS: 111549-97-4 Cat. No.: O340569 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥90%

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

≥90%

Names and Identifiers

• Pubchem Sid: 504765679
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765679
• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 462.59

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: 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
• 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: light sensitive
• Molecular Weight: 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