[(2R,3R,4S,5R)-5-azido-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-4-(1H-pyrrol-2-ylcarbonyloxy)oxolan-3-yl] 1H-pyrrole-2-carboxylate

Systemtic Name: [(2R,3R,4S,5R)-5-azido-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-[[(4S)-4-(3-chlorophenyl)-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-4-(1H-pyrrol-2-ylcarbonyloxy)oxolan-3-yl] 1H-pyrrole-2-carboxylate Openeye Name: [(2R,3R,4S,5R)-5-azido-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-(1H-pyrrole-2-carbonyloxy)tetrahydrofuran-3-yl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [(2R,3R,4S,5R)-5-azido-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl]oxymethyl]-2-(2,4-dioxo-1-pyrimidinyl)-4-[oxo(1H-pyrrol-2-yl)methoxy]-3-oxolanyl] ester IUPAC Name: [(2R,3R,4S,5R)-5-azido-5-[[(4S)-4-(3-chlorophenyl)-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl]oxymethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-(1H-pyrrole-2-carbonyloxy)oxolan-3-yl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [(2R,3R,4S,5R)-5-azido-5-[[(4S)-4-(3-chlorophenyl)-2-keto-1,3,2$l^{5}-dioxaphosphorinan-2-yl]oxymethyl]-2-(2,4-diketopyrimidin-1-yl)-4-(1H-pyrrole-2-carbonyloxy)tetrahydrofuran-3-yl] ester Formula: C28H25ClN7O11P MolecularWeight: 701.965161

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Descriptors Computed from Structure

Canonical SMILES:

C1COP(=O)(OC1C2=CC(=CC=C2)Cl)OCC3(C(C(C(O3)N4C=CC(=O)NC4=O)OC(=O)C5=CC=CN5)OC(=O)C6=CC=CN6)N=[N+]=[N-]

Isomeric SMILES

C1COP(=O)(O[C@@H]1C2=CC(=CC=C2)Cl)OC[C@@]3([C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)OC(=O)C5=CC=CN5)OC(=O)C6=CC=CN6)N=[N+]=[N-]

InChI

InChI=1S/C28H25ClN7O11P/c29-17-5-1-4-16(14-17)20-9-13-42-48(41,47-20)43-15-28(34-35-30)23(45-26(39)19-7-3-11-32-19)22(44-25(38)18-6-2-10-31-18)24(46-28)36-12-8-21(37)33-27(36)40/h1-8,10-12,14,20,22-24,31-32H,9,13,15H2,(H,33,37,40)/t20-,22+,23-,24+,28+,48?/m0/s1