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
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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:
C8 H15 O8 P
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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