[(2R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[[oxidanyl-[oxidanyl(propoxy)phosphoryl]oxy-phosphoryl]oxymethyl]-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate

Systemtic Name: [(2R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-[[oxidanyl-[oxidanyl(propoxy)phosphoryl]oxy-phosphoryl]oxymethyl]-4-(phenylcarbonyloxy)oxolan-3-yl] benzoate Openeye Name: [(2R,5R)-4-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2R,5R)-4-benzoyloxy-5-(2,4-dioxo-1-pyrimidinyl)-2-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,5R)-4-benzoyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,5R)-4-benzoyloxy-5-(2,4-diketopyrimidin-1-yl)-2-[[hydroxy-[hydroxy(propoxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C26H28N2O14P2 MolecularWeight: 654.453042

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCOP(=O)(O)OP(=O)(O)OC[C@@H]1C(C([C@@H](O1)N2C=CC(=O)NC2=O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O14P2/c1-2-15-37-43(33,34)42-44(35,36)38-16-19-21(40-24(30)17-9-5-3-6-10-17)22(41-25(31)18-11-7-4-8-12-18)23(39-19)28-14-13-20(29)27-26(28)32/h3-14,19,21-23H,2,15-16H2,1H3,(H,33,34)(H,35,36)(H,27,29,32)/t19-,21?,22?,23-/m1/s1