[(2R,3S,4S,5R,6R)-3,5-bis(oxidanyl)-2-(sulfooxymethyl)-6-(2-tetradecylhexadecoxy)oxan-4-yl] hydrogen sulfate

Systemtic Name: [(2R,3S,4S,5R,6R)-3,5-bis(oxidanyl)-2-(sulfooxymethyl)-6-(2-tetradecylhexadecoxy)oxan-4-yl] hydrogen sulfate Openeye Name: [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(sulfooxymethyl)-6-(2-tetradecylhexadecoxy)tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(sulfooxymethyl)-6-(2-tetradecylhexadecoxy)-4-oxanyl] ester IUPAC Name: [(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(sulfooxymethyl)-6-(2-tetradecylhexadecoxy)oxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-(2-myristylhexadecoxy)-6-(sulfoxymethyl)tetrahydropyran-4-yl] ester Formula: C36H72O12S2 MolecularWeight: 761.07968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC1C(C(C(C(O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C36H72O12S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(28-26-24-22-20-18-16-14-12-10-8-6-4-2)29-45-36-34(38)35(48-50(42,43)44)33(37)32(47-36)30-46-49(39,40)41/h31-38H,3-30H2,1-2H3,(H,39,40,41)(H,42,43,44)/t32-,33+,34-,35+,36-/m1/s1