Raluridine - ≥99% , CAS No.119644-22-3

CAS: 119644-22-3 Cat. No.: R1064752 PubChem CID: 451480

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: C1C(C(OC1N2C=C(C(=O)NC2=O)Cl)CO)F
• IUPAC Name: 5-chloro-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
• InChIKey: WKVDSZYIGHLONN-RRKCRQDMSA-N
• INCHI: 1S/C9H10ClFN2O4/c10-4-2-13(9(16)12-8(4)15)7-1-5(11)6(3-14)17-7/h2,5-7,14H,1,3H2,(H,12,15,16)/t5-,6+,7+/m0/s1
• Isómeros SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Cl)CO)F
• CAS alternativo: 119644-22-3
• PubChem CID: 451480
• Términos de entrada MeSH: 3'-fluoro-2',3'-dideoxy-5-chlorouridine;5-chloro-2',3'-dideoxy-3'-fluorouridine;935U83;FddClUrd;raluridine

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Pyrimidine nucleosides
      • Subclass Pyrimidine 2',3'-dideoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Pyrimidine nucleosides
• Subclass: Pyrimidine 2',3'-dideoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2',3'-dideoxyribonucleosides
• Alternative Parents: Pyrimidones Halopyrimidines Aryl chlorides Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Lactams Azacyclic compounds Oxacyclic compounds Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Alkyl fluorides Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2',3'-dideoxyribonucleoside - Halopyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Hydropyrimidine - Pyrimidine - Vinylogous amide - Tetrahydrofuran - Heteroaromatic compound - Urea - Lactam - Azacycle - Organoheterocyclic compound - Oxacycle - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Organic nitrogen compound - Alkyl fluoride - Alcohol - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at positions 2 and 3.
• 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: 264.640 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 264.031 Da
• Monoisotopic Mass: 264.031 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 389.000
• 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