[(2R,3S,5S)-5-[(6S)-6-benzamido-3,6-dihydropurin-9-yl]-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl] (4-chlorophenyl) phosphate

Systemtic Name: [(2R,3S,5S)-5-[(6S)-6-benzamido-3,6-dihydropurin-9-yl]-3-(4-oxidanylidenepentanoyloxy)oxolan-2-yl] (4-chlorophenyl) phosphate Openeye Name: [(2R,3S,5S)-5-[(6S)-6-benzamido-3,6-dihydropurin-9-yl]-3-(4-oxopentanoyloxy)tetrahydrofuran-2-yl] (4-chlorophenyl) phosphate CAS Name: [(2R,3S,5S)-5-[(6S)-6-benzamido-3,6-dihydropurin-9-yl]-3-(1,4-dioxopentoxy)-2-oxolanyl] (4-chlorophenyl) phosphate IUPAC Name: [(2R,3S,5S)-5-[(6S)-6-benzamido-3,6-dihydropurin-9-yl]-3-(4-oxopentanoyloxy)oxolan-2-yl] (4-chlorophenyl) phosphate Traditional Name: [(2R,3S,5S)-5-[(6S)-6-benzamido-3,6-dihydropurin-9-yl]-3-(4-ketopentanoyloxy)tetrahydrofuran-2-yl] (4-chlorophenyl) phosphate Formula: C27H26ClN5O9P- MolecularWeight: 630.950201

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1CC(OC1OP(=O)([O-])OC2=CC=C(C=C2)Cl)N3C=NC4=C3NC=NC4NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(=O)CCC(=O)O[C@H]1C[C@H](O[C@@H]1OP(=O)([O-])OC2=CC=C(C=C2)Cl)N3C=NC4=C3NC=N[C@@H]4NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27ClN5O9P/c1-16(34)7-12-22(35)39-20-13-21(40-27(20)42-43(37,38)41-19-10-8-18(28)9-11-19)33-15-31-23-24(29-14-30-25(23)33)32-26(36)17-5-3-2-4-6-17/h2-6,8-11,14-15,20-21,24,27H,7,12-13H2,1H3,(H,29,30)(H,32,36)(H,37,38)/p-1/t20-,21-,24+,27+/m0/s1