499-37-6 (1-硫代-β-D-吡喃葡萄糖1-(6-(甲基亚磺酰基)-N-(磺酰氧基)己基日期),1-Thio-beta-D-glucopyranose 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimi date))

CAS号:
499-37-6
中文名称:
1-硫代-β-D-吡喃葡萄糖1-(6-(甲基亚磺酰基)-N-(磺酰氧基)己基日期)
英文名称:
1-Thio-beta-D-glucopyranose 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimi date)
分子式:
C13H25NO10S3
分子量:
451.533301115036
植物源:

1-硫代-β-D-吡喃葡萄糖1-(6-(甲基亚磺酰基)-N-(磺酰氧基)己基日期)(499-37-6)名称与标识符

名称

英文别名:
1-Thio-beta-D-glucopyranose 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimi date);Glucoalyssin;1-Thio-beta-D-glucopyranose 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate);[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-6-methylsulfinyl-N-sulfooxyhexanimidothioate;1-S-[(1Z)-6-(methylsulfinyl)-N-(sulfonatooxy)hexanimidoyl]-1-thio-beta-D-glucopyranose;5-methylsulfinylpentyl glucosinolate;499-37-6;CHEBI:5395;beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate);5-Methylsulfinylpentylglucosinolate potassium salt;Glucoalyssinin potassium salt;Glucoallysin potassium salt;I2-D-glucopyranose, 1-thio-, 1-(6-(methylsulphinyl)-N-(sulphooxy)hexanimidic acid);5-Methylsulfinylpentyl glucosinolic acid;beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulphinyl)-N-(sulphooxy)hexanimidate);5-Methylsulphinylpentyl glucosinolate;beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulphinyl)-N-(sulphooxy)hexanimidic acid);1-S-((1Z)-6-(methylsulfinyl)-N-(sulfonatooxy)hexanimidoyl)-1-thio-beta-D-glucopyranose;I2-D-glucopyranose, 1-thio-, 1-(6-(methylsulphinyl)-N-(sulphooxy)hexanimidate);b-D-Glucopyranose, 1-thio-, 1-(6-(methylsulphinyl)-N-(sulphooxy)hexanimidic acid);b-D-Glucopyranose, 1-thio-, 1-(6-(methylsulphinyl)-N-(sulphooxy)hexanimidate);HY-N12953;I2-D-glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate);b-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate);5-Methylsulphinylpentyl glucosinolic acid;I2-D-glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidic acid);CS-1098611;b-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidic acid);beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidic acid);

标识符

InChIKey:
HUCGRJSHMZWRQQ-PWGYDFSISA-N
Inchi:
1S/C13H25NO10S3/c1-26(19)6-4-2-3-5-9(14-24-27(20,21)22)25-13-12(18)11(17)10(16)8(7-15)23-13/h8,10-13,15-18H,2-7H2,1H3,(H,20,21,22)/b14-9-/t8-,10-,11+,12-,13+,26?/m1/s1
SMILES:
S(/C(/CCCCCS(C)=O)=N\OS(=O)(=O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

1-硫代-β-D-吡喃葡萄糖1-(6-(甲基亚磺酰基)-N-(磺酰氧基)己基日期)(499-37-6)物化性质

实验特性

  • PSA : 186.01
  • 沸点 : °Cat760mmHg
  • 闪点 : °C

计算特性

  • 精确分子量 : 450.05632
  • 氢键供体数量 : 5
  • 氢键受体数量 : 13
  • 可旋转化学键数量 : 11
  • 同位素质量 : 451.064
  • 重原子数量 : 27
  • 复杂度 : 608
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 5
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 1
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -1.7
  • 拓扑分子极性表面积 : 236A^2

1-硫代-β-D-吡喃葡萄糖1-(6-(甲基亚磺酰基)-N-(磺酰氧基)己基日期)(499-37-6)推荐厂家 更多厂家(6)

1-硫代-β-D-吡喃葡萄糖1-(6-(甲基亚磺酰基)-N-(磺酰氧基)己基日期)(499-37-6)相关文献