2-(6-aminopurin-9-yl)ethoxymethyl-(prop-2-enoxycarbonyloxymethoxy)phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(prop-2-enoxycarbonyloxymethoxy)phosphinic acid Openeye Name: allyloxycarbonyloxymethoxy-[2-(6-aminopurin-9-yl)ethoxymethyl]phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-[[oxo(prop-2-enoxy)methoxy]methoxy]phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(prop-2-enoxycarbonyloxymethoxy)phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl(allyloxycarbonyloxymethoxy)phosphinic acid Formula: C13H18N5O7P MolecularWeight: 387.285081

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

C=CCOC(=O)OCOP(=O)(COCCN1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C13H18N5O7P/c1-2-4-23-13(19)24-8-25-26(20,21)9-22-5-3-18-7-17-10-11(14)15-6-16-12(10)18/h2,6-7H,1,3-5,8-9H2,(H,20,21)(H2,14,15,16)