Chem
J-GLOBAL ID:200907025041226296   Nikkaji number:J1.330.499H

(3R,4S,5R)-5-(Benzoyloxy)-1-hexyne-3,4-diol

(3R,4S,5R)-5-(ベンゾイルオキシ)-1-ヘキシン-3,4-ジオール
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: C13H14O4
Molecular formula furigana: C13-H14-O4
Molecular weight: 234.251
InChI: InChI=1S/C13H14O4/c1-3-11(14)12(15)9(2)17-13(16)10-7-5-4-6-8-10/h1,4-9,11-12,14-15H,2H3/t9-,11-,12-/m1/s1
InChI key: MPVVAHOTDDCWOG-YUSALJHKSA-N
SMILES: C[C@@H](OC(=O)c1ccccc1)[C@@H](O)[C@H](O)C#C
Systematic name  (3):
  • (3R,4S,5R)-5-(ベンゾイルオキシ)-1-ヘキシン-3,4-ジオール
  • (2R,3S,4R)-3,4-ジヒドロキシヘキサ-5-イン-2-イル ベンゾアート
  • (2R,3S,4R)-3,4-dihydroxyhex-5-yn-2-yl benzoate
Other name (1):
  • (3R,4S,5R)-5-(Benzoyloxy)-1-hexyne-3,4-diol
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