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

Systemtic Name: [5-(6-aminopurin-9-yl)-3-oxidanyl-2-(phenylcarbonyloxymethyl)oxolan-3-yl]phosphonic acid Openeye Name: [5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-3-hydroxy-tetrahydrofuran-3-yl]phosphonic acid CAS Name: [5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-3-hydroxy-3-oxolanyl]phosphonic acid IUPAC Name: [5-(6-aminopurin-9-yl)-2-(benzoyloxymethyl)-3-hydroxyoxolan-3-yl]phosphonic acid Traditional Name: [5-adenin-9-yl-2-(benzoyloxymethyl)-3-hydroxy-tetrahydrofuran-3-yl]phosphonic acid Formula: C17H18N5O7P MolecularWeight: 435.327881

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C1(O)P(=O)(O)O)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1C(OC(C1(O)P(=O)(O)O)COC(=O)C2=CC=CC=C2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C17H18N5O7P/c18-14-13-15(20-8-19-14)22(9-21-13)12-6-17(24,30(25,26)27)11(29-12)7-28-16(23)10-4-2-1-3-5-10/h1-5,8-9,11-12,24H,6-7H2,(H2,18,19,20)(H2,25,26,27)