2-Deoxy-2,2-difluoro-D-erythro-ribofuranose-3,5-dibenzoate - ≥95% , CAS No.143157-22-6

CAS: 143157-22-6 Cat. No.: D353060 Peso molecular: 378.33

GRADE & PURITY ≥95%

Synonyms

1173824-58-2 | [(2R,3R)-3-benzoyloxy-4,4-difluoro-5-hydroxyoxolan-2-yl]methyl benzoate | 2-Deoxy-2,2-difluoro-D-ribofuranose-3,5-dibenzoate | BS-49631 | C19H16F2O6 | 2-Deoxy-2,2-difluoro-d-erythropentofuranose 3,5-dibenzoate | 2-deoxy-2,2-difluoro-D-eryth

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

2-Deoxy-2,2-difluoro-D-erythro-ribofuranose-3,5-dibenzoate is an intermediate of the cytotoxic compound gemcitabine .

Specifications

Sinónimos

1173824-58-2 | [(2R, 3R)-3-benzoyloxy-4, 4-difluoro-5-hydroxyoxolan-2-yl]methyl benzoate | 2-Deoxy-2, 2-difluoro-D-ribofuranose-3, 5-dibenzoate | BS-49631 | C19H16F2O6 | 2-Deoxy-2, 2-difluoro-d-erythropentofuranose 3, 5-dibenzoate | 2-deoxy-2, 2-difluoro-D-eryth

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Pubchem Sid: 504766711
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766711
• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)O)(F)F)OC(=O)C3=CC=CC=C3
• IUPAC Name: [(2R,3R)-3-benzoyloxy-4,4-difluoro-5-hydroxyoxolan-2-yl]methyl benzoate
• InChIKey: PRZDMMRKPZAYHW-QOYAAKSSSA-N
• INCHI: 1S/C19H16F2O6/c20-19(21)15(27-17(23)13-9-5-2-6-10-13)14(26-18(19)24)11-25-16(22)12-7-3-1-4-8-12/h1-10,14-15,18,24H,11H2/t14-,15-,18?/m1/s1
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C(C(O2)O)(F)F)OC(=O)C3=CC=CC=C3
• Peso molecular: 378.33
• Reaxy-Rn: 43890225
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43890225&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Pentoses Benzoyl derivatives Dicarboxylic acids and derivatives Oxolanes Hemiacetals Fluorohydrins Carboxylic acid esters Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoate ester - Pentose monosaccharide - Benzoyl - Dicarboxylic acid or derivatives - Monosaccharide - Oxolane - Carboxylic acid ester - Fluorohydrin - Hemiacetal - Halohydrin - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organohalogen compound - Organofluoride - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Peso molecular: 378.300 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 378.091 Da
• Monoisotopic Mass: 378.091 Da
• Topological Polar Surface Area: 82.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 528.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1