Chem
J-GLOBAL ID:200907026719836231   Nikkaji number:J2.610.851I

1,3β,4α-Trihydroxy-5β-(phosphonomethyl)cyclohexane-1β-carboxylic acid

1,3β,4α-トリヒドロキシ-5β-(ホスホノメチル)シクロヘキサン-1β-カルボン酸
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: C8H15O8P
Molecular formula furigana: C8-H15-O8-P
Molecular weight: 270.174
InChI: InChI=1S/C8H15O8P/c9-5-2-8(13,7(11)12)1-4(6(5)10)3-17(14,15)16/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)/t4-,5-,6-,8+/m1/s1
InChI key: BKLICLLAHMTUPK-UNGCPHIMSA-N
SMILES: O[C@@H]1C[C@@](O)(C[C@H](CP(=O)(O)O)[C@H]1O)C(=O)O
Systematic name  (3):
  • 1,3β,4α-トリヒドロキシ-5β-(ホスホノメチル)シクロヘキサン-1β-カルボン酸
  • (1S,3R,4R,5S)-1,3,4-トリヒドロキシ-5-(ホスホノメチル)シクロヘキサン-1-カルボン酸
  • (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexane-1-carboxylic acid
Other name (1):
  • 1,3β,4α-Trihydroxy-5β-(phosphonomethyl)cyclohexane-1β-carboxylic acid
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