基本情報
- 標準SMILES
Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
IQCLIQLFPVKINX-SJHCENCUSA-N- 分子式
- C13H18O5S
- 平均分子量
- 286.35 g/mol
名称と識別子
- 優先名称
- (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol
- IUPAC
- (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
名称と別名
28244-98-64-METHYLPHENYLTHIO-BETA-D-GALACTOPYRANOSIDE(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol4-Methylphenyl 1-thio-b-D-galactopyranosideCHEMBL4064722MFCD04973631(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol4-Methylphenylthio-b-D-galactopyranoside4-Methylphenyl 1-thio-beta-D-galactopyranosideSCHEMBL3824089IQCLIQLFPVKINX-SJHCENCUSA-NBDBM50247500
名称をさらに表示
p-Tolyl 1-Thio--D-galactopyranosidep-Tolyl 1-Thio-b-D-galactopyranosid4-Methylphenylb-D-thiogalactopyranoside4-Methylphenylthio--D-galactopyranosideMM049464-Methylphenyl ?-D-thiogalactopyranoside4-Methylphenylthio-?-D-galactopyranoside4-Methylphenylthio-|A-D-galactopyranoside
データベース識別子
- PubChem CID
- 7315241
- ChEMBL
CHEMBL4064722- Nikkaji
- J1.643.522H
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 115 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 3
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 282
関連反応
4 件
化合物ノート
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