1152-39-2

• 常用中文名：对甲苯基-1-硫代-β-D-吡喃葡萄糖苷
• 常用英文名：B-D-GLUCOPYRANOSIDE,4-METHYLPHENYL1-THIO
• CAS号：1152-39-2
• 分子式：C₁₃H₁₈O₅S
• 分子量：286.34400
• 发布时间：2018-12-30 13:48:09
• 更新时间：2026-07-15 02:20:27

名称

• 中文名: 1-硫代-b-甲基葡萄糖甙-4-甲基苯酯
• 英文名: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
• 中文别名: 4-甲基苯基 Β-D-硫代吡喃葡萄糖苷; 对甲苯基-β-D-硫代吡喃葡萄糖苷; 4-甲基苯基-BETA-D-硫代葡萄糖苷; 对甲苯基-1-硫代-Β-D-吡喃葡萄糖苷; 4-甲基苯基 1-硫代-Β-D-吡喃葡萄糖苷; 4-甲基苯基4,6-O-亚苄基-1-硫代-Β-D-吡喃葡萄糖苷; 4-甲基苯基-1-硫代-Β-D-吡喃葡萄糖苷; (2R,3S,4S,5R,6S)-2-(羟甲基)-6-(对甲苯硫基)四氢-2H-吡喃-3,4,5-三醇; 对甲苯基-Β-D-硫代吡喃葡萄糖苷; 对甲苯基 1-硫基-BETA-D-吡喃葡萄糖苷
• 英文别名: 4-Methylphenyl-beta-D-thioglucopyranoside; Tolyl 1-thio-beta-D-glucopyranoside, Thiocresyl beta-D-glucopyranoside; β-D-Glucopyranoside, 4-methylphenyl 1-thio; p-Tolyl 1-thio-β- D -glucopyranoside; 4-Methylphenyl b-D-thioglucopyranoside; p-Tolyl|A-D-thioglucopyranoside; 4-Methylphenyl 1-thio-beta-D-glucopyranoside min; B-D-Glucopyranoside,4-methylphenyl1-thio; p-Tolyl β-D-thioglucopyranoside; p-Methylphenyl-β-D-thioglucopyranoside; 4-Methylphenyl 1-thio-b-D-glucopyranoside; 4-Methylphenyl β-D-thioglucopyranoside; p-Tolyl 1-thio-β-D-glucopyranoside; p-Tolyl 1-thio-beta-D-glucopyranoside; p-Tolyl 1-thio-|A-D-glucopyranoside; 4-Methylphenyl 1-Thio-β-D-glucopyranoside; (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(p-tolylthio)tetrahydro-2H-pyran-3,4,5-triol; 4-Methylphenyl 1-thio-beta-D-glucopyranoside; MFCD11045365

物化性质

• 密度: 1.43 g/cm3
• 沸点: 513.2ºC at 760 mmHg
• 分子式: C₁₃H₁₈O₅S
• 分子量: 286.34400
• 闪点: 264.2ºC
• 精确质量: 286.08700
• PSA: 115.45000
• 储存条件: 2-8°C， 密封， 干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.7

  2.氢键供体数量:4

  3.氢键受体数量:6

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积115

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:282

  10.同位素原子数量:0

  11.确定原子立构中心数量:5

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

合成路线

28244-94-2 ~96% 1152-39-2

文献：Liu, Cheng-Yuan; Chen, Hui-Ling; Ko, Chih-Min; Chen, Chien-Tien Tetrahedron, 2011 , vol. 67, # 5 p. 872 - 876

106-45-6 604-69-3 ~96% 1152-39-2

文献：Weng, Shiue-Shien; Lin, Yow-Dzer; Chen, Chien-Tien Organic Letters, 2006 , vol. 8, # 24 p. 5633 - 5636

83-87-4 106-45-6 ~72% 1152-39-2

文献：ACADEMIA SINICA; LIANG, Chi-ming; HUNG, Shang-cheng; CHANG, Cheng-hsiu Patent: WO2013/184564 A1, 2013 ; Location in patent: Paragraph 00188; 00189 ;

819814-42-1 ~87% 1152-39-2

文献：Chen, Ming-Yi; Patkar, Laxmikant N.; Lu, Kuo-Cheng; Lee, Adam Shih-Yuan; Lin, Chun-Cheng Tetrahedron, 2004 , vol. 60, # 50 p. 11465 - 11475

604-69-3 ~% 1152-39-2

文献：Journal of the American Chemical Society, , vol. 126, # 30 p. 9205 - 9213

106-45-6 ~% 1152-39-2

文献：Organic and Biomolecular Chemistry, , vol. 2, # 15 p. 2195 - 2202

83-87-4 ~% 1152-39-2

文献：Organic and Biomolecular Chemistry, , vol. 2, # 15 p. 2195 - 2202

2280-44-6 106-45-6 ~% 1152-39-2 131488-68-1

文献：Chemistry Letters, , vol. 38, # 5 p. 458 - 459

572-09-8 ~% 1152-39-2

文献：Journal of Organic Chemistry, , vol. 11, p. 301,305

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