[(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxyphosphinic acid

Systemtic Name: [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxyphosphinic acid Openeye Name: [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxyphosphinic acid CAS Name: [(2R,3R,5R)-5-(6-benzamido-9-purinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl]oxyphosphinic acid IUPAC Name: [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxyphosphinic acid Traditional Name: [(2R,3R,5R)-5-(6-benzamidopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxyphosphinic acid Formula: C38H36N5O8P MolecularWeight: 721.694901

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)OP(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@@H](C[C@@H](O4)N5C=NC6=C5N=CN=C6NC(=O)C7=CC=CC=C7)OP(=O)O

InChI

InChI=1S/C38H36N5O8P/c1-47-29-17-13-27(14-18-29)38(26-11-7-4-8-12-26,28-15-19-30(48-2)20-16-28)49-22-32-31(51-52(45)46)21-33(50-32)43-24-41-34-35(39-23-40-36(34)43)42-37(44)25-9-5-3-6-10-25/h3-20,23-24,31-33,52H,21-22H2,1-2H3,(H,45,46)(H,39,40,42,44)/t31-,32-,33-/m1/s1