Fluorodeoxyuridylate - ≥99% , CAS No.134-46-3

CAS: 134-46-3 Cat. No.: F1071294 Molecular Weight: 326.170

GRADE & PURITY ≥99%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥99%

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)O
• IUPAC Name: [(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
• InChIKey: HFEKDTCAMMOLQP-RRKCRQDMSA-N
• INCHI: 1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
• Molecular Weight: 326.170

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Pyrimidine nucleotides
• Subclass: Pyrimidine deoxyribonucleotides
• Intermediate Tree Nodes: Pyrimidine deoxyribonucleoside monophosphates
• Direct Parent: Pyrimidine 2'-deoxyribonucleoside monophosphates
• 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 monophosphate - 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 monophosphates. These are pyrimidine nucleotides with a monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.
• External Descriptors: pyrimidine 2'-deoxyribonucleoside 5'-monophosphate

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: 326.170 g/mol
• XLogP3: -2.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 326.032 Da
• Monoisotopic Mass: 326.032 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 534.000
• 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