Chem
J-GLOBAL ID:200907013931544211
Nikkaji number:J587.781D
D-myo-Inositol 1-phosphoric acid 4,5-bisthiophosphoric acid
D-myo-イノシトール1-りん酸4,5-ビスチオりん酸
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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:
C6 H15 O13 P3 S2
Molecular formula furigana:
C6-H15-O13-P3-S2
Molecular weight:
452.210
InChI:
InChI=1S/C6H15O13P3S2/c7-1-2(8)5(18-21(13,14)23)6(19-22(15,16)24)3(9)4(1)17-20(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,23)(H2,15,16,24)/t1-,2+,3+,4-,5-,6-/m1/s1
InChI key:
OEKHZIJBKVQWQC-XJTPDSDZSA-N
SMILES:
O[C@@H]1[C@H](O)[C@@H](OP(=O)(O)S)[C@H](OP(=O)(O)S)[C@@H](O)[C@@H]1OP(=O)(O)O
Systematic name (3):
D-myo-イノシトール1-りん酸4,5-ビスチオりん酸
{[(1R,2R,3S,4R,5R,6S)-2,3,6-トリヒドロキシ-4,5-ジ{[ヒドロキシ(スルファニル)ホスホリル]オキシ}シクロヘキシル]オキシ}ホスホン酸
{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-di{[hydroxy(sulfanyl)phosphoryl]oxy}cyclohexyl]oxy}phosphonic acid
Other name (1):
D-myo-Inositol 1-phosphoric acid 4,5-bisthiophosphoric acid
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