[(1R,3R,4R,6S)-3-butanoyloxy-2,4,5,6-tetraphosphonooxy-cyclohexyl] butanoate

Systemtic Name: [(1R,3R,4R,6S)-3-butanoyloxy-2,4,5,6-tetraphosphonooxy-cyclohexyl] butanoate Openeye Name: [(1R,3R,4R,6S)-3-butanoyloxy-2,4,5,6-tetraphosphonooxy-cyclohexyl] butanoate CAS Name: butanoic acid [(1R,3R,4R,6S)-3-(1-oxobutoxy)-2,4,5,6-tetraphosphonooxycyclohexyl] ester IUPAC Name: [(1R,3R,4R,6S)-3-butanoyloxy-2,4,5,6-tetraphosphonooxycyclohexyl] butanoate Traditional Name: butyric acid [(1R,3R,4R,6S)-3-butyryloxy-2,4,5,6-tetraphosphonooxy-cyclohexyl] ester Formula: C14H28O20P4 MolecularWeight: 640.255164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OC(=O)CCC)OP(=O)(O)O

Isomeric SMILES

CCCC(=O)O[C@H]1[C@H](C([C@H]([C@@H](C1OP(=O)(O)O)OC(=O)CCC)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C14H28O20P4/c1-3-5-7(15)29-9-11(31-35(17,18)19)10(30-8(16)6-4-2)13(33-37(23,24)25)14(34-38(26,27)28)12(9)32-36(20,21)22/h9-14H,3-6H2,1-2H3,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)/t9-,10-,11?,12-,13+,14?/m1/s1