Compound Identification
SMILES
COC1=NC(N)=NC2=C1N=CN2COCCOP(=O)(OC1=CC2=C(OCO2)C=C1)OC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=VUIXSDICRFDGFX-UHFFFAOYSA-N
Formula
C23H22N5O10P
Mass
559.428
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Organic phosphoric acids and derivatives
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Subclass
Phosphate esters
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Level 5
Aryl phosphates
- Level 6 Aryl phosphotriesters
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Level 5
Aryl phosphates
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Subclass
Phosphate esters
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Class
Organic phosphoric acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic phosphoric acids and derivatives
Subclass
Phosphate esters
Intermediate Tree Nodes
Aryl phosphates
Direct Parent
Aryl phosphotriesters
Alternative Parents
Hypoxanthines Benzodioxoles Monoalkyl phosphates Aminopyrimidines and derivatives Alkyl aryl ethers Primary aromatic amines N-substituted imidazoles Benzenoids Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl phosphotriester - Hypoxanthine - Benzodioxole - Imidazopyrimidine - Purine - Alkyl aryl ether - Aminopyrimidine - Monoalkyl phosphate - N-substituted imidazole - Benzenoid - Alkyl phosphate - Pyrimidine - Primary aromatic amine - Azole - Heteroaromatic compound - Imidazole - Acetal - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl phosphotriesters. These are aryl phosphates in which the phosphate is esterified at exactly three positions.
External Descriptors
Not available