1212286-70-8 (3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid,3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid)

CAS号:
1212286-70-8
中文名称:
3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
英文名称:
3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
分子式:
C12H19NO5
分子量:
257.282963991165

3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid(1212286-70-8)名称与标识符

名称

中文别名:
3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;
英文别名:
3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;(1R,2S,3R,4S)-3-((tert-Butoxycarbonyl)amino)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;Rac-(1r,2s,3r,4s)-3-{[(tert-butoxy)carbonyl]amino}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;(1R,2S,3R,4S)-3-{[(tert-butoxy)carbonyl]amino}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;CS-0260145;(1R,2S,3R,4S)-3-(BOC-AMINO)-7-OXABICYCLO[2.2.1]HEPTANE-2-CARBOXYLIC ACID;895-876-1;Z4024957222;EN300-7461790;H27112;MFCD07783751;diexo-3-tert-Butoxycarbonylamino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid;1932796-37-6;rac-(1R,2S,3R,4S)-3-(((tert-butoxy)carbonyl)amino)-7-oxabicyclo(2.2.1)heptane-2-carboxylic acid;1212286-70-8;

标识符

InChIKey:
XYLRDISIBZDXIN-XAVMHZPKSA-N
Inchi:
1S/C12H19NO5/c1-12(2,3)18-11(16)13-9-7-5-4-6(17-7)8(9)10(14)15/h6-9H,4-5H2,1-3H3,(H,13,16)(H,14,15)/t6-,7+,8-,9+/m1/s1
SMILES:
O1[C@@H]2CC[C@H]1[C@@H]([C@@H]2C(=O)O)NC(=O)OC(C)(C)C

3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid(1212286-70-8)物化性质

计算特性

  • 精确分子量 : 257.12632271Da
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 4
  • 同位素质量 : 257.12632271Da
  • 重原子数量 : 18
  • 复杂度 : 362
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 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) : 1.3
  • 拓扑分子极性表面积 : 84.9Ų