[[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(2-oxidanyl-6-oxidanylidene-1H-pyrimidin-3-ium-3-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(2-oxidanyl-6-oxidanylidene-1H-pyrimidin-3-ium-3-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-oxo-1H-pyrimidin-3-ium-3-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-oxo-1H-pyrimidin-3-ium-3-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-oxo-1H-pyrimidin-3-ium-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-keto-1H-pyrimidin-3-ium-3-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C9H16N2O15P3+ MolecularWeight: 485.149023

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=C(NC1=O)O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

Isomeric SMILES

C1=C[N+](=C(NC1=O)O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H5,10,12,15,16,17,18,19,20,21,22)/p+1/t4-,6-,7-,8-/m1/s1