Chem
J-GLOBAL ID：200907093654112841   Nikkaji number：J2.723.602B

D-myo-Inositol 1,3,4,6-tetraphosphoric acid 5-diphosphoric acid

D-myo-イノシトール1,3,4,6-テトラりん酸5-二りん酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C6H18O24P6
Molecular formula furigana： C6-H18-O24-P6
Molecular weight： 660.029
InChI： InChI=1S/C6H18O24P6/c7-1-2(25-31(8,9)10)4(27-33(14,15)16)6(29-36(23,24)30-35(20,21)22)5(28-34(17,18)19)3(1)26-32(11,12)13/h1-7H,(H,23,24)(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+
InChI key： FFZGWHDHUIRNPY-KXXVROSKSA-N
SMILES： O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O
Systematic name  (3)：
  • D-myo-イノシトール1,3,4,6-テトラりん酸5-二りん酸
  • {[(1S,2r,3R,4S,5r,6R)-2-ヒドロキシ-5-{[ヒドロキシ(ホスホノオキシ)ホスホリル]オキシ}-3,4,6-トリス(ホスホノオキシ)シクロヘキシル]オキシ}ホスホン酸
  • {[(1S,2r,3R,4S,5r,6R)-2-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3,4,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Other name (1)：
  • D-myo-Inositol 1,3,4,6-tetraphosphoric acid 5-diphosphoric acid
Thsaurus map：
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