Chem
J-GLOBAL ID：200907095457207922
Nikkaji number：J1.880.876E
(4R)-4α-[4-(Tosyloxy)-1-butynyl]-1-oxa-2-thia-3-azacyclohexane-5α-ol 2,2-dioxide
(4R)-4α-[4-(トシルオキシ)-1-ブチニル]-5α-ヒドロキシテトラヒドロ-1,2,3-オキサチアジン2,2-ジオキシド
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： C14H17NO5[O-]2S[S+2]
Molecular formula furigana： C14-H17-N-O7-S2
Molecular weight： 375.410
InChI：
InChI=1S/C14H17NO7S2/c1-11-5-7-12(8-6-11)23(17,18)21-9-3-2-4-13-14(16)10-22-24(19,20)15-13/h5-8,13-16H,3,9-10H2,1H3/t13-,14-/m1/s1
InChI key：
KVDIVFIINPDTDS-ZIAGYGMSSA-N
SMILES：
Cc1ccc(cc1)S(=O)(=O)OCCC#C[C@H]1N[S+2]([O-])([O-])OC[C@H]1O
Systematic name (4)：
- (4R)-4α-[4-(トシルオキシ)-1-ブチニル]-1-オキサ-2-チア-3-アザシクロヘキサン-5α-オール2,2-ジオキシド
- (4R)-4α-[4-(トシルオキシ)-1-ブチニル]-5α-ヒドロキシテトラヒドロ-1,2,3-オキサチアジン2,2-ジオキシド
- (4R,5S)-5-ヒドロキシ-4-{4-[(4-メチルベンゼンスルホニル)オキシ]ブタ-1-イン-1-イル}-1,2,3-オキサチアジナン-2,2-ジイウム-2,2-ビス(オラート)
- (4R,5S)-5-hydroxy-4-{4-[(4-methylbenzenesulfonyl)oxy]but-1-yn-1-yl}-1,2,3-oxathiazinane-2,2-diium-2,2-bis(olate)
- (4R)-4α-[4-(Tosyloxy)-1-butynyl]-1-oxa-2-thia-3-azacyclohexane-5α-ol 2,2-dioxide
- (4R)-4α-[4-(Tosyloxy)-1-butynyl]-5α-hydroxytetrahydro-1,2,3-oxathiazine 2,2-dioxide
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