tetrasodium [(2S,3R,4R,5R)-2-(2-dioctoxyphosphoryloxyethoxy)-3-oxidanyl-5-phosphonatooxy-oxan-4-yl] phosphate

Systemtic Name: tetrasodium [(2S,3R,4R,5R)-2-(2-dioctoxyphosphoryloxyethoxy)-3-oxidanyl-5-phosphonatooxy-oxan-4-yl] phosphate Openeye Name: tetrasodium [(2S,3R,4R,5R)-2-(2-dioctoxyphosphoryloxyethoxy)-3-hydroxy-5-phosphonatooxy-tetrahydropyran-4-yl] phosphate CAS Name: tetrasodium [(2S,3R,4R,5R)-2-(2-dioctoxyphosphoryloxyethoxy)-3-hydroxy-5-phosphonatooxy-4-oxanyl] phosphate IUPAC Name: tetrasodium [(2S,3R,4R,5R)-2-(2-dioctoxyphosphoryloxyethoxy)-3-hydroxy-5-phosphonatooxyoxan-4-yl] phosphate Traditional Name: tetrasodium [(2S,3R,4R,5R)-2-(2-dioctoxyphosphoryloxyethoxy)-3-hydroxy-5-phosphato-tetrahydropyran-4-yl] phosphate Formula: C23H45Na4O15P3 MolecularWeight: 746.474763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=O)(OCCCCCCCC)OCCOC1C(C(C(CO1)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCOP(=O)(OCCCCCCCC)OCCO[C@@H]1[C@@H]([C@H]([C@@H](CO1)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C23H49O15P3.4Na/c1-3-5-7-9-11-13-15-34-41(31,35-16-14-12-10-8-6-4-2)36-18-17-32-23-21(24)22(38-40(28,29)30)20(19-33-23)37-39(25,26)27;;;;/h20-24H,3-19H2,1-2H3,(H2,25,26,27)(H2,28,29,30);;;;/q;4*+1/p-4/t20-,21-,22+,23+;;;;/m1..../s1