2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-phosphonooxy-phosphoryl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoic acid

Systemtic Name: 2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-phosphonooxy-phosphoryl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoic acid Openeye Name: 2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-phosphonooxy-phosphoryl]oxy-2-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoic acid CAS Name: 2-[[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-phosphonooxyphosphoryl]oxy-2-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]propanoic acid IUPAC Name: 2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phosphonooxyphosphoryl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid Traditional Name: 2-[(2S,3R,4R,5S,6R)-3-acetamido-5-[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-phosphonooxy-phosphoryl]oxy-2-hydroxy-6-methylol-tetrahydropyran-4-yl]oxypropionic acid Formula: C20H31N3O19P2 MolecularWeight: 679.416362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1C(C(OC(C1OP(=O)(OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OP(=O)(O)O)CO)O)NC(=O)C

Isomeric SMILES

CC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1OP(=O)(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)OP(=O)(O)O)CO)O)NC(=O)C

InChI

InChI=1S/C20H31N3O19P2/c1-7(18(29)30)38-16-12(21-8(2)25)19(31)40-9(5-24)15(16)41-44(36,42-43(33,34)35)37-6-10-13(27)14(28)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,7,9-10,12-17,19,24,27-28,31H,5-6H2,1-2H3,(H,21,25)(H,29,30)(H,22,26,32)(H2,33,34,35)/t7?,9-,10-,12-,13-,14-,15-,16-,17-,19+,44?/m1/s1