1-[(2R,4S,5S)-5-[(2R,4S)-2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-4-yl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,4S,5S)-5-[(2R,4S)-2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-yl]oxy-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-4-yl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,4S,5S)-5-[(2R,4S)-2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-2-oxo-1,3,2$l^{5}-dioxaphosphinan-4-yl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,4S,5S)-5-[(2R,4S)-2-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanyl]oxy]-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-4-yl]-4-hydroxy-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,4S,5S)-5-[(2R,4S)-2-[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-2-oxo-1,3,2$l^{5}-dioxaphosphinan-4-yl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2R,4S,5S)-5-[(2R,4S)-2-[(2R,3S,5R)-5-adenin-9-yl-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-yl]oxy-2-keto-1,3,2$l^{5}-dioxaphosphorinan-4-yl]-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C43H46N7O12P MolecularWeight: 883.838801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)C3CCOP(=O)(O3)OC4CC(OC4COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)N8C=NC9=C8N=CN=C9N)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)[C@@H]3CCO[P@@](=O)(O3)O[C@H]4C[C@@H](O[C@@H]4COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)N8C=NC9=C8N=CN=C9N)O

InChI

InChI=1S/C43H46N7O12P/c1-25-21-49(42(53)48-41(25)52)35-19-31(51)38(60-35)32-17-18-58-63(54,61-32)62-33-20-36(50-24-47-37-39(44)45-23-46-40(37)50)59-34(33)22-57-43(26-7-5-4-6-8-26,27-9-13-29(55-2)14-10-27)28-11-15-30(56-3)16-12-28/h4-16,21,23-24,31-36,38,51H,17-20,22H2,1-3H3,(H2,44,45,46)(H,48,52,53)/t31-,32-,33-,34+,35+,36+,38-,63-/m0/s1