Structure Information
Structure

Compound Identification

SMILES

CCOP(=O)(COC1CC(CC1O)N1C=C(C)C(=O)N(C(=O)C2=CC=CC=C2)C1=O)OCC

InChIKey

InChIKey=WITRGXPIVLOOSZ-UHFFFAOYSA-N

Formula

C22H29N2O8P

Mass

480.454

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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 - Cyclopentyl nucleoside - Benzoic acid or derivatives - Benzoyl - Dialkyl alkylphosphonate - Pyrimidone - Phosphonic acid diester - Monocyclic benzene moiety - Cyclopentanol - Pyrimidine - Hydropyrimidine - Phosphonic acid ester - Benzenoid - Vinylogous amide - Organophosphonic acid derivative - Heteroaromatic compound - Cyclic alcohol - Lactam - Urea - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organophosphorus compound - Organic nitrogen 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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