Chemical Component Summary

Name(1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
Synonymsmyo-(3OH)IP5
Identifiers[(1~{R},2~{R},4~{R},5~{S})-3-oxidanyl-2,4,5,6-tetraphosphonooxy-cyclohexyl] dihydrogen phosphate
FormulaC6 H17 O21 P5
Molecular Weight580.055
TypeNON-POLYMER
Isomeric SMILES[C@@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChIInChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3-,4+,5-,6-/m1/s1
InChIKeyCTPQAXVNYGZUAJ-XCMZKKERSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count4
Bond Count49
Aromatic Bond Count0