1-Chloro-3,5-di-(p-chlorobenzoyl)-2-deoxy-D-ribofuranose - ≥95% , CAS No.21740-23-8

CAS: 21740-23-8 Cat. No.: C334039 Peso molecular: 429.68 Número EC: 606-827-9

GRADE & PURITY ≥95%

Synonyms

SY226329 | MFCD11044532 | SY110687 | 3,5-bis-o-(4-chlorobenzoyl)-2-deoxypentofuranosyl chloride | [5-chloranyl-3-(4-chlorophenyl)carbonyloxy-oxolan-2-yl]methyl 4-chloranylbenzoate | LS-14701 | DTXSID40944353 | 1-Chloro-3,5-di-(p-chlorobenzoyl)-2-deoxy-D-r

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

SY226329 | MFCD11044532 | SY110687 | 3, 5-bis-o-(4-chlorobenzoyl)-2-deoxypentofuranosyl chloride | [5-chloranyl-3-(4-chlorophenyl)carbonyloxy-oxolan-2-yl]methyl 4-chloranylbenzoate | LS-14701 | DTXSID40944353 | 1-Chloro-3, 5-di-(p-chlorobenzoyl)-2-deoxy-D-r

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

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: 488189260
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189260
• Sonrisas canónicas: C1C(C(OC1Cl)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl
• IUPAC Name: [5-chloro-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate
• InChIKey: QEHCZULNFYDPPL-UHFFFAOYSA-N
• INCHI: 1S/C19H15Cl3O5/c20-13-5-1-11(2-6-13)18(23)25-10-16-15(9-17(22)26-16)27-19(24)12-3-7-14(21)8-4-12/h1-8,15-17H,9-10H2
• Isómeros SMILES: C1C(C(OC1Cl)COC(=O)C2=CC=C(C=C2)Cl)OC(=O)C3=CC=C(C=C3)Cl
• Peso molecular: 429.68
• Reaxy-Rn: 32945374
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32945374&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: 4-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Tetrahydrofurans Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Halobenzene - Chlorobenzene - Dicarboxylic acid or derivatives - Aryl halide - Aryl chloride - Tetrahydrofuran - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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

• Peso molecular: 429.700 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 427.999 Da
• Monoisotopic Mass: 427.999 Da
• Topological Polar Surface Area: 61.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 515.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1