[[(2R,3S,4R,5R)-4-acetamido-3-oxidanyl-5-(4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-4-acetamido-3-oxidanyl-5-(4-oxidanylidene-2-sulfanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-4-acetamido-3-hydroxy-5-(4-oxo-2-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-4-acetamido-3-hydroxy-5-(4-oxo-2-sulfanylidene-1-pyrimidinyl)-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-4-acetamido-3-hydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-4-acetamido-3-hydroxy-5-(4-keto-2-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C11H18N3O14P3S MolecularWeight: 541.258603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(OC1N2C=CC(=O)NC2=S)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=S)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C11H18N3O14P3S/c1-5(15)12-8-9(17)6(26-10(8)14-3-2-7(16)13-11(14)32)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-3,6,8-10,17H,4H2,1H3,(H,12,15)(H,21,22)(H,23,24)(H,13,16,32)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1