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

Systemtic Name: trisodium [[[(5R)-5-(4-hydroxyphenyl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] hydrogen phosphate Openeye Name: trisodium [[[(5R)-3-hydroxy-5-(4-hydroxyphenyl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] hydrogen phosphate CAS Name: trisodium [[[(5R)-3-hydroxy-5-(4-hydroxyphenyl)-2-oxolanyl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate IUPAC Name: trisodium [[[(5R)-3-hydroxy-5-(4-hydroxyphenyl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate Traditional Name: trisodium [[[(5R)-3-hydroxy-5-(4-hydroxyphenyl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] hydrogen phosphate Formula: C11H14Na3O13P3 MolecularWeight: 516.111653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@@H](OC(C1O)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])C2=CC=C(C=C2)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H17O13P3.3Na/c12-8-3-1-7(2-4-8)10-5-9(13)11(22-10)6-21-26(17,18)24-27(19,20)23-25(14,15)16;;;/h1-4,9-13H,5-6H2,(H,17,18)(H,19,20)(H2,14,15,16);;;/q;3*+1/p-3/t9?,10-,11?;;;/m1.../s1