[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-[(2R,3R,4R,5R)-5-[6-[bis(phenylcarbonyl)amino]purin-9-yl]-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-4-[(4-methoxyphenyl)methoxy]oxolan-3-yl]oxy-5-phenylmethoxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-[(2R,3R,4R,5R)-5-[6-[bis(phenylcarbonyl)amino]purin-9-yl]-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-4-[(4-methoxyphenyl)methoxy]oxolan-3-yl]oxy-5-phenylmethoxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4S,5R,6R)-3,4-diacetoxy-5-benzyloxy-6-[(2R,3R,4R,5R)-5-[6-(dibenzoylamino)purin-9-yl]-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-4-[(4-methoxyphenyl)methoxy]tetrahydrofuran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-[[(2R,3R,4R,5R)-5-[6-(dibenzoylamino)-9-purinyl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-[(4-methoxyphenyl)methoxy]-3-oxolanyl]oxy]-5-phenylmethoxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-[(2R,3R,4R,5R)-5-[6-(dibenzoylamino)purin-9-yl]-2-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-4-[(4-methoxyphenyl)methoxy]oxolan-3-yl]oxy-5-phenylmethoxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4S,5R,6R)-3,4-diacetoxy-5-benzoxy-6-[(2R,3R,4R,5R)-5-[6-(dibenzoylamino)purin-9-yl]-2-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]-4-p-anisyloxy-tetrahydrofuran-3-yl]oxy-tetrahydropyran-2-yl]methyl ester Formula: C71H67N5O16 MolecularWeight: 1246.31558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C2OCC3=CC=C(C=C3)OC)N4C=NC5=C4N=CN=C5N(C(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)COC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=C(C=C1)OC)OCC1=CC=CC=C1)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]2OCC3=CC=C(C=C3)OC)N4C=NC5=C4N=CN=C5N(C(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)COC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=C(C=C1)OC)OCC1=CC=CC=C1)OC(=O)C)OC(=O)C

InChI

InChI=1S/C71H67N5O16/c1-45(77)84-41-57-60(88-46(2)78)62(89-47(3)79)64(86-39-48-21-11-6-12-22-48)70(91-57)92-61-58(42-87-71(52-27-17-9-18-28-52,53-29-19-10-20-30-53)54-33-37-56(83-5)38-34-54)90-69(63(61)85-40-49-31-35-55(82-4)36-32-49)75-44-74-59-65(75)72-43-73-66(59)76(67(80)50-23-13-7-14-24-50)68(81)51-25-15-8-16-26-51/h6-38,43-44,57-58,60-64,69-70H,39-42H2,1-5H3/t57-,58-,60-,61-,62+,63-,64-,69-,70-/m1/s1