trisodium [oxidanidyl-[oxidanidyl-[[(2R,3S,5R)-3-oxidanyl-5-(4-phenylmethoxyphenyl)oxolan-2-yl]methoxy]phosphoryl]oxy-phosphoryl] hydrogen phosphate

Systemtic Name: trisodium [oxidanidyl-[oxidanidyl-[[(2R,3S,5R)-3-oxidanyl-5-(4-phenylmethoxyphenyl)oxolan-2-yl]methoxy]phosphoryl]oxy-phosphoryl] hydrogen phosphate Openeye Name: trisodium [[[(2R,3S,5R)-5-(4-benzyloxyphenyl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] hydrogen phosphate CAS Name: trisodium [[[(2R,3S,5R)-3-hydroxy-5-(4-phenylmethoxyphenyl)-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate IUPAC Name: trisodium [[[(2R,3S,5R)-3-hydroxy-5-(4-phenylmethoxyphenyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate Traditional Name: trisodium [[[(2R,3S,5R)-5-(4-benzoxyphenyl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] hydrogen phosphate Formula: C18H20Na3O13P3 MolecularWeight: 606.234193

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1C2=CC=C(C=C2)OCC3=CC=CC=C3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1C2=CC=C(C=C2)OCC3=CC=CC=C3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H23O13P3.3Na/c19-16-10-17(14-6-8-15(9-7-14)27-11-13-4-2-1-3-5-13)29-18(16)12-28-33(23,24)31-34(25,26)30-32(20,21)22;;;/h1-9,16-19H,10-12H2,(H,23,24)(H,25,26)(H2,20,21,22);;;/q;3*+1/p-3/t16-,17+,18+;;;/m0.../s1