[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] (2S,3S,4R,5R,6S)-4,5-diacetamido-3,6-bis(oxidanyl)oxane-2-carboxylate

Systemtic Name: [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] (2S,3S,4R,5R,6S)-4,5-diacetamido-3,6-bis(oxidanyl)oxane-2-carboxylate Openeye Name: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] (2S,3S,4R,5R,6S)-4,5-diacetamido-3,6-dihydroxy-tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4R,5R,6S)-4,5-diacetamido-3,6-dihydroxy-2-oxanecarboxylic acid [(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-3-oxolanyl] ester IUPAC Name: [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] (2S,3S,4R,5R,6S)-4,5-diacetamido-3,6-dihydroxyoxane-2-carboxylate Traditional Name: (2S,3S,4R,5R,6S)-4,5-diacetamido-3,6-dihydroxy-tetrahydropyran-2-carboxylic acid [(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] ester Formula: C19H28N4O18P2 MolecularWeight: 662.389142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(OC(C1O)C(=O)OC2C(OC(C2O)N3C=CC(=O)NC3=O)COP(=O)(O)OP(=O)(O)O)O)NC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=CC(=O)NC3=O)COP(=O)(O)OP(=O)(O)O)O)NC(=O)C

InChI

InChI=1S/C19H28N4O18P2/c1-6(24)20-10-11(21-7(2)25)17(29)40-15(12(10)27)18(30)39-14-8(5-37-43(35,36)41-42(32,33)34)38-16(13(14)28)23-4-3-9(26)22-19(23)31/h3-4,8,10-17,27-29H,5H2,1-2H3,(H,20,24)(H,21,25)(H,35,36)(H,22,26,31)(H2,32,33,34)/t8-,10-,11-,12+,13-,14-,15+,16-,17+/m1/s1