Chem
J-GLOBAL ID：200907029168837753
Nikkaji number：J2.305.505H
(4R)-3-(4-Methoxybenzyl)-4α-(4-azido-1-butenyl)-5α-hydroxytetrahydro-1,2,3-oxathiazine 2,2-dioxide
(4R)-3-(4-メトキシベンジル)-4α-(4-アジド-1-ブテニル)-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： C15H20N2[N-][N+]O3[O-]2[S+2]
Molecular formula furigana： C15-H20-N4-O5-S
Molecular weight： 368.410
InChI：
InChI=1S/C15H20N4O5S/c1-23-13-7-5-12(6-8-13)10-19-14(4-2-3-9-17-18-16)15(20)11-24-25(19,21)22/h2,4-8,14-15,20H,3,9-11H2,1H3/t14-,15-/m1/s1
InChI key：
OXGRDWLLHDURFI-HUUCEWRRSA-N
SMILES：
COc1ccc(CN2[C@H](C=CCCN=[N+]=[N-])[C@H](O)CO[S+2]2([O-])[O-])cc1
Systematic name (3)：
- (4R)-3-(4-メトキシベンジル)-4α-(4-アジド-1-ブテニル)-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)-4-(4-アジドブタ-1-エン-1-イル)-5-ヒドロキシ-3-[(4-メトキシフェニル)メチル]-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)-4-(4-azidobut-1-en-1-yl)-5-hydroxy-3-[(4-methoxyphenyl)methyl]-1,2,3-oxathiazinane-2,2-diium-2,2-bis(olate)
- (4R)-3-(4-Methoxybenzyl)-4α-(4-azido-1-butenyl)-5α-hydroxytetrahydro-1,2,3-oxathiazine 2,2-dioxide
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