2,3,5-Tri-O-benzoyl-β-D-ribofuranosyl cyanide - ≥98%(HPLC) , CAS No.23316-67-8

CAS: 23316-67-8 Cat. No.: T168848 Molecular Weight: 471.46 Beilstein Registry Number: 1443500 EC Number: 622-815-6 PubChem CID: 2728914

GRADE & PURITY ≥98%(HPLC)

Synonyms

NCGC00176008-01 | OFMYTVNDIRTGMR-UARRHKHWSA- | Maybridge4_003285 | 2,3,5-Tri-O-benzoyl-b-D-ribofuranosylcyanide | D-Allononitrile, 2,5-anhydro-, 3,4,6-tribenzoate | SR-01000635383-1 | (2S,3S,4R,5R)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]-2-cyanooxolan-3-yl

Storage

Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

NCGC00176008-01 | OFMYTVNDIRTGMR-UARRHKHWSA- | Maybridge4_003285 | 2, 3, 5-Tri-O-benzoyl-b-D-ribofuranosylcyanide | D-Allononitrile, 2, 5-anhydro-, 3, 4, 6-tribenzoate | SR-01000635383-1 | (2S, 3S, 4R, 5R)-4-(benzoyloxy)-5-[(benzoyloxy)methyl]-2-cyanooxolan-3-yl

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C#N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
• IUPAC Name: [(2R,3R,4S,5S)-3,4-dibenzoyloxy-5-cyanooxolan-2-yl]methyl benzoate
• InChIKey: OFMYTVNDIRTGMR-UARRHKHWSA-N
• INCHI: 1S/C27H21NO7/c28-16-21-23(34-26(30)19-12-6-2-7-13-19)24(35-27(31)20-14-8-3-9-15-20)22(33-21)17-32-25(29)18-10-4-1-5-11-18/h1-15,21-24H,17H2/t21-,22+,23-,24+/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)C#N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
• WGK Germany: 3
• PubChem CID: 2728914
• Molecular Weight: 471.46
• Beilstein: 1443500

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 C-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: C-glycosyl compounds
• Alternative Parents: Benzoic acid esters Tricarboxylic acids and derivatives Benzoyl derivatives Monosaccharides Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Nitriles Dialkyl ethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: C-glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Tetrahydrofuran - Carboxylic acid ester - Nitrile - Carbonitrile - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
• 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: Moisture sensitive
• Molecular Weight: 471.500 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 471.132 Da
• Monoisotopic Mass: 471.132 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 787.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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