Chem
J-GLOBAL ID：200907083193775350   Nikkaji number：J19.184A

Validoxylamine A

バリドキシルアミンA
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： C14H25NO8
Molecular formula furigana： C14-H25-N-O8
Molecular weight： 335.353
InChI： InChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1
InChI key： YCJYNBLLJHFIIW-MBABXGOBSA-N
SMILES： OC[C@H]1C[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 1,5,6-トリデオキシ-5-ヒドロキシメチル-1-[[(1S)-4β,5α,6β-トリヒドロキシ-3-ヒドロキシメチル-2-シクロヘキセン-1β-イル]アミノ]-D-chiro-イノシトール
  • (1S,2S,3R,6S)-4-(ヒドロキシメチル)-6-{[(1S,2S,3S,4R,5R)-2,3,4-トリヒドロキシ-5-(ヒドロキシメチル)シクロヘキシル]アミノ}シクロヘキサ-4-エン-1,2,3-トリオール
  • (1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol
Other name (4)：
  • バリドキシルアミンA
  • Validoxylamine A
  • 1,5,6-Trideoxy-5-hydroxymethyl-1-[[(1S)-4β,5α,6β-trihydroxy-3-hydroxymethyl-2-cyclohexen-1β-yl]amino]-D-chiro-inositol
  • バリドキシラミンA
CAS registry number： 38665-10-0
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