(2-acetyloxy-3-octadecanoyloxy-propyl)sulfanyl-[(2S,3R,5S,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphinic acid

Systemtic Name: (2-acetyloxy-3-octadecanoyloxy-propyl)sulfanyl-[(2S,3R,5S,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphinic acid Openeye Name: (2-acetoxy-3-octadecanoyloxy-propyl)sulfanyl-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexoxy]phosphinic acid CAS Name: [[2-acetyloxy-3-(1-oxooctadecoxy)propyl]thio]-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid IUPAC Name: (2-acetyloxy-3-octadecanoyloxypropyl)sulfanyl-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphinic acid Traditional Name: [(2-acetoxy-3-stearoyloxy-propyl)thio]-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexoxy]phosphinic acid Formula: C29H55O12PS MolecularWeight: 658.778561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CSP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CSP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)C

InChI

InChI=1S/C29H55O12PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(31)39-19-22(40-21(2)30)20-43-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h22,24-29,32-36H,3-20H2,1-2H3,(H,37,38)/t22?,24?,25-,26+,27-,28-,29?/m0/s1