Chem
J-GLOBAL ID：200907059389969472   Nikkaji number：J2.136.597A

D-myo-Inositol 1,2-bisdiphosphoric acid 3,4,5,6-tetrakisphosphoric acid

D-myo-イノシトール1,2-ビス二りん酸3,4,5,6-テトラキスりん酸
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： C6H20O30P8
Molecular formula furigana： C6-H20-O30-P8
Molecular weight： 819.986
InChI： InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4+,5-,6+/m0/s1
InChI key： GXPFHIDIIMSLOF-FTYOSCRSSA-N
SMILES： OP(=O)(O)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)OP(=O)(O)O)[C@@H]1OP(=O)(O)O
Systematic name  (3)：
  • D-myo-イノシトール1,2-ビス二りん酸3,4,5,6-テトラキスりん酸
  • {[(1S,2R,3R,4S,5R,6S)-3,4-ジ{[ヒドロキシ(ホスホノオキシ)ホスホリル]オキシ}-2,5,6-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,6S)-3,4-di{[hydroxy(phosphonooxy)phosphoryl]oxy}-2,5,6-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Other name (1)：
  • D-myo-Inositol 1,2-bisdiphosphoric acid 3,4,5,6-tetrakisphosphoric acid
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