Chem
J-GLOBAL ID:200907049314480138   Nikkaji number:J415.950K

D-myo-Inositol 1,4-bisphosphoric acid 5-thiophosphoric acid

D-myo-イノシトール1,4-ビスりん酸5-チオりん酸
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: C6H15O14P3S
Molecular formula furigana: C6-H15-O14-P3-S
Molecular weight: 436.150
InChI: InChI=1S/C6H15O14P3S/c7-1-2(8)5(19-22(13,14)15)6(20-23(16,17)24)3(9)4(1)18-21(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,24)/t1-,2+,3+,4-,5-,6-/m1/s1
InChI key: UKCNLOBKKFKWLA-XJTPDSDZSA-N
SMILES: O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)S)[C@@H](O)[C@@H]1OP(=O)(O)O
Systematic name  (4):
  • D-myo-イノシトール1,4-ビス(りん酸)5-チオりん酸
  • D-myo-イノシトール1,4-ビスりん酸5-チオりん酸
  • {[(1R,2S,3R,4R,5S,6R)-2,3,5-トリヒドロキシ-6-{[ヒドロキシ(スルファニル)ホスホリル]オキシ}-4-(ホスホノオキシ)シクロヘキシル]オキシ}ホスホン酸
  • {[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-6-{[hydroxy(sulfanyl)phosphoryl]oxy}-4-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Other name (1):
  • D-myo-Inositol 1,4-bisphosphoric acid 5-thiophosphoric acid
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