Chem
J-GLOBAL ID：201307082759462156   Nikkaji number：J3.130.113K

2-O-Benzyl-5-O-(phosphonoacetyl)-D-myo-inositol 1,3,4,6-tetraphosphoric acid

2-O-ベンジル-5-O-(ホスホノアセチル)-D-myo-イノシトール1,3,4,6-テトラりん酸
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： C15H25O22P5
Molecular formula furigana： C15-H25-O22-P5
Molecular weight： 712.212
InChI： InChI=1S/C15H25O22P5/c16-9(7-38(17,18)19)33-11-14(36-41(26,27)28)12(34-39(20,21)22)10(32-6-8-4-2-1-3-5-8)13(35-40(23,24)25)15(11)37-42(29,30)31/h1-5,10-15H,6-7H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)/t10-,11+,12+,13-,14+,15-
InChI key： KVXFVNYXADEMDE-FYYZZUKCSA-N
SMILES： OP(=O)(O)CC(=O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](OCc2ccccc2)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O
Systematic name  (3)：
  • 2-O-ベンジル-5-O-(ホスホノアセチル)-D-myo-イノシトール1,3,4,6-テトラりん酸
  • {[(1S,2S,3r,4R,5R,6s)-3-(ベンジルオキシ)-6-[(2-ホスホノアセチル)オキシ]-2,4,5-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,2S,3r,4R,5R,6s)-3-(benzyloxy)-6-[(2-phosphonoacetyl)oxy]-2,4,5-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Other name (1)：
  • 2-O-Benzyl-5-O-(phosphonoacetyl)-D-myo-inositol 1,3,4,6-tetraphosphoric acid
Thsaurus map：
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