Structure Information
Structure

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

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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

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

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