5-Fluorodeoxyuridine triphosphate , CAS No.2710-64-7

CAS: 2710-64-7 Cat. No.: F950347 Molecular Weight: 486.130

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Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
• IUPAC Name: [[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• InChIKey: YQOCUTDPKPPQGA-RRKCRQDMSA-N
• INCHI: 1S/C9H14FN2O14P3/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h2,5-7,13H,1,3H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
• Molecular Weight: 486.130

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Pyrimidine nucleotides
      • Subclass Pyrimidine deoxyribonucleotides
        • Level5 Pyrimidine deoxyribonucleoside triphosphates
          • Level6 Pyrimidine 2'-deoxyribonucleoside triphosphates

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleotides
• Subclass: Pyrimidine deoxyribonucleotides
• Intermediate Tree Nodes: Pyrimidine deoxyribonucleoside triphosphates
• Direct Parent: Pyrimidine 2'-deoxyribonucleoside triphosphates
• Alternative Parents: Pyrimidones Halopyrimidines Monoalkyl phosphates Aryl fluorides Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside triphosphate - Halopyrimidine - Monoalkyl phosphate - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Pyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Alkyl phosphate - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Secondary alcohol - Urea - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Alcohol - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside triphosphates. These are pyrimidine nucleotides with a triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
• 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

• Molecular Weight: 486.130 g/mol
• XLogP3: -5.000
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 485.964 Da
• Monoisotopic Mass: 485.964 Da
• Topological Polar Surface Area: 239.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 857.000
• 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