[(3S)-3,4-di(butanoyloxy)butyl]-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphinic acid

Systemtic Name: [(3S)-3,4-di(butanoyloxy)butyl]-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphinic acid Openeye Name: [(3S)-3,4-di(butanoyloxy)butyl]-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphinic acid CAS Name: [(3S)-3,4-bis(1-oxobutoxy)butyl]-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphinic acid IUPAC Name: [(3S)-3,4-di(butanoyloxy)butyl]-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphinic acid Traditional Name: [(3S)-3,4-dibutyryloxybutyl]-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxy-cyclohexoxy]phosphinic acid Formula: C18H35O18P3 MolecularWeight: 632.380983

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CCP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC[C@H](CCP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCC

InChI

InChI=1S/C18H35O18P3/c1-3-5-11(19)32-9-10(33-12(20)6-4-2)7-8-37(24,25)34-16-13(21)14(22)17(35-38(26,27)28)18(15(16)23)36-39(29,30)31/h10,13-18,21-23H,3-9H2,1-2H3,(H,24,25)(H2,26,27,28)(H2,29,30,31)/t10-,13+,14-,15-,16+,17+,18+/m0/s1