[1-[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]-2,2-bis(4-methoxyphenyl)-2-phenyl-ethyl] benzoate

Systemtic Name: [1-[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]-2,2-bis(4-methoxyphenyl)-2-phenyl-ethyl] benzoate Openeye Name: [1-[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]-2,2-bis(4-methoxyphenyl)-2-phenyl-ethyl] benzoate CAS Name: benzoic acid [1-[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxy-2-oxolanyl]-2,2-bis(4-methoxyphenyl)-2-phenylethyl] ester IUPAC Name: [1-[(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methoxyoxolan-2-yl]-2,2-bis(4-methoxyphenyl)-2-phenylethyl] benzoate Traditional Name: benzoic acid [1-[(2S,3R,4R,5R)-5-adenin-9-yl-3-hydroxy-4-methoxy-tetrahydrofuran-2-yl]-2,2-bis(4-methoxyphenyl)-2-phenyl-ethyl] ester Formula: C39H37N5O7 MolecularWeight: 687.74038

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC1N2C=NC3=C2N=CN=C3N)C(C(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OC(=O)C7=CC=CC=C7)O

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)C(C(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OC(=O)C7=CC=CC=C7)O

InChI

InChI=1S/C39H37N5O7/c1-47-28-18-14-26(15-19-28)39(25-12-8-5-9-13-25,27-16-20-29(48-2)21-17-27)34(51-38(46)24-10-6-4-7-11-24)32-31(45)33(49-3)37(50-32)44-23-43-30-35(40)41-22-42-36(30)44/h4-23,31-34,37,45H,1-3H3,(H2,40,41,42)/t31-,32+,33-,34?,37-/m1/s1