[[5-(6-aminopurin-9-yl)-2-(phenylcarbonyloxymethyl)oxolan-3-yl]-diethoxy-methyl]phosphonic acid

Systemtic Name: [[5-(6-aminopurin-9-yl)-2-(phenylcarbonyloxymethyl)oxolan-3-yl]-diethoxy-methyl]phosphonic acid Openeye Name: [[5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)tetrahydrofuran-3-yl]-diethoxy-methyl]phosphonic acid CAS Name: [[5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-3-oxolanyl]-diethoxymethyl]phosphonic acid IUPAC Name: [[5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)oxolan-3-yl]-diethoxymethyl]phosphonic acid Traditional Name: [[5-adenin-9-yl-2-(benzoyloxymethyl)tetrahydrofuran-3-yl]-diethoxy-methyl]phosphonic acid Formula: C22H28N5O8P MolecularWeight: 521.460181

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1CC(OC1COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N)(OCC)P(=O)(O)O

Isomeric SMILES

CCOC(C1CC(OC1COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N)(OCC)P(=O)(O)O

InChI

InChI=1S/C22H28N5O8P/c1-3-33-22(34-4-2,36(29,30)31)15-10-17(27-13-26-18-19(23)24-12-25-20(18)27)35-16(15)11-32-21(28)14-8-6-5-7-9-14/h5-9,12-13,15-17H,3-4,10-11H2,1-2H3,(H2,23,24,25)(H2,29,30,31)