[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-ethoxycarbonyl-phosphinic acid

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-ethoxycarbonyl-phosphinic acid Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-ethoxycarbonyl-phosphinic acid CAS Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-ethoxycarbonylphosphinic acid IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic acid Traditional Name: (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methoxy-carbethoxy-phosphinic acid Formula: C13H18N5O8P MolecularWeight: 403.284481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)P(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CCOC(=O)P(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C13H18N5O8P/c1-2-24-13(21)27(22,23)25-3-6-8(19)9(20)12(26-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19-20H,2-3H2,1H3,(H,22,23)(H2,14,15,16)