[(2R)-2-butanoyloxy-3-[oxidanyl-[(2S,3S,5R,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate

Systemtic Name: [(2R)-2-butanoyloxy-3-[oxidanyl-[(2S,3S,5R,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] butanoate Openeye Name: [(2R)-2-butanoyloxy-3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexoxy]phosphoryl]oxy-propyl] butanoate CAS Name: butanoic acid [(2R)-3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-(1-oxobutoxy)propyl] ester IUPAC Name: [(2R)-2-butanoyloxy-3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] butanoate Traditional Name: butyric acid [(2R)-2-butyryloxy-3-[hydroxy-[(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexoxy]phosphoryl]oxy-propyl] ester Formula: C17H31O13P MolecularWeight: 474.394001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC[C@H](COP(=O)(O)OC1[C@H]([C@H](C([C@H]([C@@H]1O)O)O)O)O)OC(=O)CCC

InChI

InChI=1S/C17H31O13P/c1-3-5-10(18)27-7-9(29-11(19)6-4-2)8-28-31(25,26)30-17-15(23)13(21)12(20)14(22)16(17)24/h9,12-17,20-24H,3-8H2,1-2H3,(H,25,26)/t9-,12?,13-,14+,15+,16+,17?/m1/s1