dioctyl 2-[(2S,3R,4R,5R)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]oxyethyl phosphate

Systemtic Name: dioctyl 2-[(2S,3R,4R,5R)-3-oxidanyl-4,5-diphosphonooxy-oxan-2-yl]oxyethyl phosphate Openeye Name: 2-[(2S,3R,4R,5R)-3-hydroxy-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxyethyl dioctyl phosphate CAS Name: phosphoric acid 2-[[(2S,3R,4R,5R)-3-hydroxy-4,5-diphosphonooxy-2-oxanyl]oxy]ethyl dioctyl ester IUPAC Name: 2-[(2S,3R,4R,5R)-3-hydroxy-4,5-diphosphonooxyoxan-2-yl]oxyethyl dioctyl phosphate Traditional Name: phosphoric acid 2-[(2S,3R,4R,5R)-3-hydroxy-4,5-diphosphonooxy-tetrahydropyran-2-yl]oxyethyl dioctyl ester Formula: C23H49O15P3 MolecularWeight: 658.547443

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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

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

InChI

InChI=1S/C23H49O15P3/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)/t20-,21-,22+,23+/m1/s1