(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol

HCID 7315241

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

関連反応

4 件

化合物ノート

読み込み中…