Chem
J-GLOBAL ID：200907076847327878   Nikkaji number：J2.717.436A

5β-(Acetylamino)-2α-(hydroxymethyl)hexahydro-1H-azepine-3β,4α,6α-triol

5β-(アセチルアミノ)-2α-(ヒドロキシメチル)ヘキサヒドロ-1H-アゼピン-3β,4α,6α-トリオール
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： C9H18N2O5
Molecular formula furigana： C9-H18-N2-O5
Molecular weight： 234.252
InChI： InChI=1S/C9H18N2O5/c1-4(13)11-7-6(14)2-10-5(3-12)8(15)9(7)16/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)/t5-,6-,7+,8-,9-/m1/s1
InChI key： RJAFVDFBXXHCRJ-SYHAXYEDSA-N
SMILES： CC(=O)N[C@H]1[C@H](O)CN[C@H](CO)[C@@H](O)[C@@H]1O
Systematic name  (4)：
  • 5β-(アセチルアミノ)-2α-(ヒドロキシメチル)ヘキサヒドロ-1H-アゼピン-3β,4α,6α-トリオール
  • N-[(3R)-3β,5β,6α-トリヒドロキシ-7β-(ヒドロキシメチル)ヘキサヒドロ-1H-アゼピン-4α-イル]アセトアミド
  • N-[(3R,4S,5R,6R,7R)-3,5,6-トリヒドロキシ-7-(ヒドロキシメチル)アゼパン-4-イル]アセトアミド
  • N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide
Other name (2)：
  • 5β-(Acetylamino)-2α-(hydroxymethyl)hexahydro-1H-azepine-3β,4α,6α-triol
  • N-[(3R)-3β,5β,6α-Trihydroxy-7β-(hydroxymethyl)hexahydro-1H-azepine-4α-yl]acetamide
Thsaurus map：
Thesaurus Map

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