[[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl] phosphono hydrogen phosphate

Systemtic Name: [[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl] phosphono hydrogen phosphate Openeye Name: [[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] phosphono hydrogen phosphate CAS Name: [[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl] phosphono hydrogen phosphate IUPAC Name: [[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] phosphono hydrogen phosphate Traditional Name: [[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] phosphono hydrogen phosphate Formula: C17H27N3O17P2 MolecularWeight: 607.353702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1C(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OP(=O)(O)OP(=O)(O)O)CO)O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O17P2/c1-5(22)18-8-10(25)9(24)6(4-21)34-13(8)15(36-39(32,33)37-38(29,30)31)14-11(26)12(27)16(35-14)20-3-2-7(23)19-17(20)28/h2-3,6,8-16,21,24-27H,4H2,1H3,(H,18,22)(H,32,33)(H,19,23,28)(H2,29,30,31)/t6-,8-,9-,10-,11+,12-,13+,14+,15?,16-/m1/s1