1360879-08-8 (([(2S,3S,4S,5R,6S)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate)

CAS号:
1360879-08-8
英文名称:
[(2S,3S,4S,5R,6S)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate
分子式:
C26H43BrO9
分子量:
579.518228769302

[(2S,3S,4S,5R,6S)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate(1360879-08-8)名称与标识符

名称

英文别名:
[(2S,3S,4S,5R,6S)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate;2,3,4,6-Tetra-O-pivaloyl-a-D-mannopyranosyl bromide;SY275113;Tetra-O-pivaloyl-alpha-D-glucopyranosylbromide;2,3,4,6-Tetra-O-pivaloyl-;A-D-glucopyranosyl bromide;

标识符

InChIKey:
BSDBCYHGMPHOAL-UHFFFAOYSA-N
Inchi:
1S/C26H43BrO9/c1-23(2,3)19(28)32-13-14-15(34-20(29)24(4,5)6)16(35-21(30)25(7,8)9)17(18(27)33-14)36-22(31)26(10,11)12/h14-18H,13H2,1-12H3
SMILES:
BrC1C(C(C(C(COC(C(C)(C)C)=O)O1)OC(C(C)(C)C)=O)OC(C(C)(C)C)=O)OC(C(C)(C)C)=O

[(2S,3S,4S,5R,6S)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate(1360879-08-8)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 9
  • 可旋转化学键数量 : 13
  • 重原子数量 : 36
  • 复杂度 : 824
  • 疏水参数计算参考值(XlogP) : 7.1
  • 拓扑分子极性表面积 : 114