[(1S,3S,4R,6S)-2,3-bis[[hydroxymethyl(oxidanyl)phosphoryl]oxy]-4,5,6-tris(2-methylpropanoyloxy)cyclohexyl]oxy-(hydroxymethyl)phosphinic acid

Systemtic Name: [(1S,3S,4R,6S)-2,3-bis[[hydroxymethyl(oxidanyl)phosphoryl]oxy]-4,5,6-tris(2-methylpropanoyloxy)cyclohexyl]oxy-(hydroxymethyl)phosphinic acid Openeye Name: [(1S,3S,4R,6S)-2,3-bis[[hydroxy(hydroxymethyl)phosphoryl]oxy]-4,5,6-tris(2-methylpropanoyloxy)cyclohexoxy]-(hydroxymethyl)phosphinic acid CAS Name: [(1S,3S,4R,6S)-2,3-bis[[hydroxy(hydroxymethyl)phosphoryl]oxy]-4,5,6-tris(2-methyl-1-oxopropoxy)cyclohexyl]oxy-(hydroxymethyl)phosphinic acid IUPAC Name: [(1S,3S,4R,6S)-2,3-bis[[hydroxy(hydroxymethyl)phosphoryl]oxy]-4,5,6-tris(2-methylpropanoyloxy)cyclohexyl]oxy-(hydroxymethyl)phosphinic acid Traditional Name: [(1S,3S,4R,6S)-2,3-bis[[hydroxy(methylol)phosphoryl]oxy]-4,5,6-triisobutyryloxy-cyclohexoxy]-methylol-phosphinic acid Formula: C21H39O18P3 MolecularWeight: 672.444843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1C(C(C(C(C1OC(=O)C(C)C)OP(=O)(CO)O)OP(=O)(CO)O)OP(=O)(CO)O)OC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)O[C@@H]1[C@@H](C([C@H]([C@@H](C1OC(=O)C(C)C)OC(=O)C(C)C)OP(=O)(CO)O)OP(=O)(CO)O)OP(=O)(CO)O

InChI

InChI=1S/C21H39O18P3/c1-10(2)19(25)34-13-14(35-20(26)11(3)4)16(37-40(28,29)7-22)18(39-42(32,33)9-24)17(38-41(30,31)8-23)15(13)36-21(27)12(5)6/h10-18,22-24H,7-9H2,1-6H3,(H,28,29)(H,30,31)(H,32,33)/t13?,14-,15+,16-,17-,18?/m0/s1