disodium [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3R,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-(sulfanylmethyl)oxan-2-yl] phosphate

Systemtic Name: disodium [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3R,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-(sulfanylmethyl)oxan-2-yl] phosphate Openeye Name: disodium [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(sulfanylmethyl)tetrahydropyran-2-yl] phosphate CAS Name: disodium [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-oxidophosphoryl] [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(mercaptomethyl)-2-oxanyl] phosphate IUPAC Name: disodium [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(sulfanylmethyl)oxan-2-yl] phosphate Traditional Name: disodium [[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(mercaptomethyl)tetrahydropyran-2-yl] phosphate Formula: C15H22N2Na2O16P2S MolecularWeight: 626.331042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OC3C(C(C(C(O3)CS)O)O)O)O)O.[Na+].[Na+]

Isomeric SMILES

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CS)O)O)O)O)O.[Na+].[Na+]

InChI

InChI=1S/C15H24N2O16P2S.2Na/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(30-13)3-29-34(25,26)33-35(27,28)32-14-12(23)10(21)9(20)6(4-36)31-14;;/h1-2,5-6,8-14,19-23,36H,3-4H2,(H,25,26)(H,27,28)(H,16,18,24);;/q;2*+1/p-2/t5-,6-,8-,9+,10+,11-,12-,13-,14-;;/m1../s1