Chem
J-GLOBAL ID：200907001840506955
Nikkaji number：J2.118.910C
(1α,5α)-2β,3α,4α-Trihydroxy-N-(β-D-glucopyranosyl)-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide
(1α,5α)-2β,3α,4α-トリヒドロキシ-N-(β-D-グルコピラノシル)-6-オキサ-8-アザビシクロ[3.2.1]オクタン-8-カルボチオアミド
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
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
Molecular formula： C13H22N2O9S
Molecular formula furigana： C13-H22-N2-O9-S
Molecular weight： 382.380
InChI：
InChI=1S/C13H22N2O9S/c16-1-4-6(18)8(20)9(21)11(24-4)14-13(25)15-3-2-23-12(15)10(22)7(19)5(3)17/h3-12,16-22H,1-2H2,(H,14,25)/t3-,4+,5+,6+,7-,8-,9+,10-,11+,12+/m0/s1
InChI key：
BFWFBEFTHDHQAS-DANZEROXSA-N
SMILES：
OC[C@H]1O[C@@H](NC(=S)N2[C@H]3CO[C@@H]2[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name (3)：
- (1α,5α)-2β,3α,4α-トリヒドロキシ-N-(β-D-グルコピラノシル)-6-オキサ-8-アザビシクロ[3.2.1]オクタン-8-カルボチオアミド
- (1S,2R,3S,4S,5R)-2,3,4-トリヒドロキシ-N-[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]-6-オキサ-8-アザビシクロ[3.2.1]オクタン-8-カルボチオアミド
- (1S,2R,3S,4S,5R)-2,3,4-trihydroxy-N-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide
- (1α,5α)-2β,3α,4α-Trihydroxy-N-(β-D-glucopyranosyl)-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide
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