sodium [[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl phosphate

Systemtic Name: sodium [[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R)-3,4,5-tris(oxidanyl)oxolan-2-yl]methyl phosphate Openeye Name: sodium [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl phosphate CAS Name: sodium [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl] [(2R,3S,4R)-3,4,5-trihydroxy-2-oxolanyl]methyl phosphate IUPAC Name: sodium [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl phosphate Traditional Name: sodium [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-keto-1H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl phosphate Formula: C16H22N3NaO15P2 MolecularWeight: 581.294272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C2=C1C(=O)N=CN2)C3C(C(C(O3)COP(=O)(O)OP(=O)([O-])OCC4C(C(C(O4)O)O)O)O)O.[Na+]

Isomeric SMILES

C1=CN(C2=C1C(=O)N=CN2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)([O-])OC[C@@H]4[C@H]([C@H](C(O4)O)O)O)O)O.[Na+]

InChI

InChI=1S/C16H23N3O15P2.Na/c20-9-7(32-15(11(9)22)19-2-1-6-13(19)17-5-18-14(6)24)3-30-35(26,27)34-36(28,29)31-4-8-10(21)12(23)16(25)33-8;/h1-2,5,7-12,15-16,20-23,25H,3-4H2,(H,26,27)(H,28,29)(H,17,18,24);/q;+1/p-1/t7-,8-,9-,10-,11-,12-,15-,16?;/m1./s1