Compound Identification
SMILES
CCOP(=O)(COC1CC(N2C=CC(=O)NC2=O)C(C)(F)C1OC(=O)C1=CC=CC=C1)OCC
InChIKey
InChIKey=JILGOBPDQNKWFU-UHFFFAOYSA-N
Formula
C22H28FN2O8P
Mass
498.444
Taxonomic Classification
Taxonomy Tree
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Nucleoside and nucleotide analogues
Subclass
Phosphonated cyclopentyl nucleosides
Intermediate Tree Nodes
1,3-substituted phosphonated cyclopentyl nucleosides
Direct Parent
1,3-substituted phosphonated cyclopentyl pyrimidine nucleosides
Alternative Parents
Benzoic acid esters Benzoyl derivatives Pyrimidones Dialkyl alkylphosphonates Phosphonic acid esters Hydropyrimidines Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid esters Lactams Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organophosphorus compounds Organofluorides Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,3-substituted phosphonated cyclopentyl pyrimidine nucleoside - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Dialkyl alkylphosphonate - Phosphonic acid diester - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Phosphonic acid ester - Pyrimidine - Heteroaromatic compound - Organophosphonic acid derivative - Vinylogous amide - Carboxylic acid ester - Lactam - Urea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organophosphorus compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-substituted phosphonated cyclopentyl pyrimidine nucleosides. These are nucleoside analogues with a structure that consists of a cyclobutane that is substituted a the 1-position with a phosphonate group, and at the 3-position with either a pyrimidine base.
External Descriptors
Not available