[[5-(6-aminopurin-9-yl)-4-oxidanyl-2-(phenylcarbonyloxymethyl)oxolan-3-yl]-diethoxy-methyl]phosphonic acid

Systemtic Name: [[5-(6-aminopurin-9-yl)-4-oxidanyl-2-(phenylcarbonyloxymethyl)oxolan-3-yl]-diethoxy-methyl]phosphonic acid Openeye Name: [[5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-4-hydroxy-tetrahydrofuran-3-yl]-diethoxy-methyl]phosphonic acid CAS Name: [[5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-4-hydroxy-3-oxolanyl]-diethoxymethyl]phosphonic acid IUPAC Name: [[5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-4-hydroxyoxolan-3-yl]-diethoxymethyl]phosphonic acid Traditional Name: [[5-adenin-9-yl-2-(benzoyloxymethyl)-4-hydroxy-tetrahydrofuran-3-yl]-diethoxy-methyl]phosphonic acid Formula: C22H28N5O9P MolecularWeight: 537.459581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)(OCC)P(=O)(O)O

Isomeric SMILES

CCOC(C1C(OC(C1O)N2C=NC3=C2N=CN=C3N)COC(=O)C4=CC=CC=C4)(OCC)P(=O)(O)O

InChI

InChI=1S/C22H28N5O9P/c1-3-34-22(35-4-2,37(30,31)32)15-14(10-33-21(29)13-8-6-5-7-9-13)36-20(17(15)28)27-12-26-16-18(23)24-11-25-19(16)27/h5-9,11-12,14-15,17,20,28H,3-4,10H2,1-2H3,(H2,23,24,25)(H2,30,31,32)