683269-95-6 ([反式-4-(BOC-氨基)环己基]甲基甲磺酸酯,trans-[4-(tert-butoxycarbonylamino)cyclohexyl]methyl methanesulfonate)

CAS号:
683269-95-6
中文名称:
[反式-4-(BOC-氨基)环己基]甲基甲磺酸酯
英文名称:
trans-[4-(tert-butoxycarbonylamino)cyclohexyl]methyl methanesulfonate
分子式:
C13H25NO5S
分子量:
307.406303167343

[反式-4-(BOC-氨基)环己基]甲基甲磺酸酯(683269-95-6)名称与标识符

名称

英文别名:
Carbamic acid, [trans-4-[[(methylsulfonyl)oxy]methyl]cyclohexyl]-,1,1-dimethylethyl ester;trans-4-((tert-Butoxycarbonyl)amino)-cyclohexyl)methyl methanesulfonate;((1r,4r)-4-((tert-butoxycarbonyl)amino)cyclohexyl)methyl methanesulfonate;[trans-4-(Boc-amino)cyclohexyl]methyl Methanesulfonate;trans 4-((tert-butoxycarbonyl)amino)cyclohexyl)methyl methanesulfonate;tert-butyl N-[trans-4-[(methanesulfonyloxy)methyl]cyclohexyl]carbamate;JRZCCUKNNXDEIG-XYPYZODXSA-N;JRZCCUKNNXDEIG-PHIMTYICSA-N;SY128817;trans-[4-(tert-butoxycarbonylamino)cyclohexyl]methyl methanesulfonate;trans methanesulfonic acid 4-tert-butoxycarbonylamino-cyclohexylmethyl ester;R10062;1069120-41-7;SCHEMBL14643397;[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl methanesulfonate;((cis)-4-(tert-butoxycarbonylamino)cyclohexyl)methyl methanesulfonate;AKOS030231365;Rel-((1s,4s)-4-((tert-butoxycarbonyl)amino)cyclohexyl)methyl methanesulfonate;SCHEMBL2038201;MFCD28383641;DB-179690;SCHEMBL1498384;(4-((tert-Butoxycarbonyl)amino)cyclohexyl)methyl methanesulfonate;SCHEMBL1498385;CS-0197366;Methanesulfonic acid 4-tert-butoxycarbonylamino-cyclohexylmethyl ester;[cis-4-(Boc-amino)cyclohexyl]methyl Methanesulfonate;SY308654;MFCD24466486;N-[trans-4-[[(methylsulfonyl)oxy]methyl]cyclohexyl]-carbamic acid tert-butyl ester;TRANS-4-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXYL)METHYL METHANESULFONATE;SCHEMBL1498493;CS-12633;A1-00478;MFCD28403045;683269-95-6;((trans)-4-(tert-butoxycarbonylamino)cyclohexyl)methyl methanesulfonate;trans-Methanesulphonic acid 4-tert-butoxycarbonylaminocyclohexylmethyl ester;1435805-79-0;[4-(tert-butoxycarbonylamino)cyclohexyl]methyl methanesulfonate;Methanesulfonic acid 4-t-butoxycarbonylamino-cyclohexylmethyl ester;{trans-4-[(tert-Butoxycarbonyl)amino]cyclohexyl}methyl methanesulfonate;tert-butyl N-[(1r,4r)-4-[(methanesulfonyloxy)methyl]cyclohexyl]carbamate;

标识符

MDL:
MFCD28383641
InChIKey:
JRZCCUKNNXDEIG-UHFFFAOYSA-N
Inchi:
1S/C13H25NO5S/c1-13(2,3)19-12(15)14-11-7-5-10(6-8-11)9-18-20(4,16)17/h10-11H,5-9H2,1-4H3,(H,14,15)
SMILES:
S(C)(=O)(=O)OCC1CCC(CC1)NC(=O)OC(C)(C)C

[反式-4-(BOC-氨基)环己基]甲基甲磺酸酯(683269-95-6)物化性质

实验特性

  • PSA : 81.7

计算特性

  • 精确分子量 : 307.14545
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 6
  • 同位素质量 : 307.14534407g/mol
  • 重原子数量 : 20
  • 复杂度 : 413
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 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) : 1.9
  • 拓扑分子极性表面积 : 90.1

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