(4-methylsulfonylphenyl) bis[[(2S,5R)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl] phosphate

Systemtic Name: (4-methylsulfonylphenyl) bis[[(2S,5R)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl] phosphate Openeye Name: (4-methylsulfonylphenyl) bis[[(2S,5R)-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl] phosphate CAS Name: phosphoric acid (4-methylsulfonylphenyl) bis[[(2S,5R)-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl] ester IUPAC Name: (4-methylsulfonylphenyl) bis[[(2S,5R)-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl] phosphate Traditional Name: phosphoric acid bis[[(2S,5R)-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl] (4-mesylphenyl) ester Formula: C27H29N8O10PS MolecularWeight: 688.605521

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)OP(=O)(OCC2CCC(O2)N3C=NC4=C3NC=NC4=O)OCC5CCC(O5)N6C=NC7=C6NC=NC7=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)OP(=O)(OC[C@@H]2CC[C@@H](O2)N3C=NC4=C3NC=NC4=O)OC[C@@H]5CC[C@@H](O5)N6C=NC7=C6NC=NC7=O

InChI

InChI=1S/C27H29N8O10PS/c1-47(39,40)19-6-2-16(3-7-19)45-46(38,41-10-17-4-8-20(43-17)34-14-32-22-24(34)28-12-30-26(22)36)42-11-18-5-9-21(44-18)35-15-33-23-25(35)29-13-31-27(23)37/h2-3,6-7,12-15,17-18,20-21H,4-5,8-11H2,1H3,(H,28,30,36)(H,29,31,37)/t17-,18-,20+,21+/m0/s1