1052715-76-0 ((3R,4R)-苄基3-(叔丁氧基羰基氨基)-4-羟基哌啶-1-羧酸,benzyl (3R,4R)-3-(tert-butoxycarbonylamino)-4-hydroxy-piperidine-1-carboxylate)

CAS号:
1052715-76-0
中文名称:
(3R,4R)-苄基3-(叔丁氧基羰基氨基)-4-羟基哌啶-1-羧酸
英文名称:
benzyl (3R,4R)-3-(tert-butoxycarbonylamino)-4-hydroxy-piperidine-1-carboxylate
分子式:
C18H26N2O5
分子量:
350.409445285797

(3R,4R)-苄基3-(叔丁氧基羰基氨基)-4-羟基哌啶-1-羧酸(1052715-76-0)名称与标识符

名称

中文别名:
(3R,4R)-苄基3-(叔丁氧基羰基氨基)-4-羟基哌啶-1-羧酸;
英文别名:
Benzyl (3R,4R)-3-(tert-butoxycarbonylamino)-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;(3R,4R)-benzyl 3-(tert-butoxycarbonylamino)-4-hydrox;(3R,4R)-benzyl 3-(tert-butoxycarbonylamino)-4-hydroxypiperidin-1-carboxylate;(3R,4R)-BENZYL 3-(TERT-BUTOXYCARBONYLAMINO)-4-HYDROXYPIPERIDINE-1-CARBOXYLATE;AK-38462;ANW-59399;CTK8B8143;KB-250868;SureCN4120261;Trans-benzyl 3-((tert-butoxycarbonyl)amino)-4-hydroxypiperidine-1-carboxylate;trans-(3S,4S)-benzyl 3-((tert-butoxycarbonyl)amino)-4-hydroxypiperidine-1-carboxylate;benzyl (3R,4R)-3-(tert-butoxycarbonylamino)-4-hydroxy-piperidine-1-carboxylate;CS-0362882;859854-67-4;ZOHDMZDTYNCUBC-HUUCEWRRSA-N;DTXSID60705342;SCHEMBL4120261;Benzylrel-(3R,4R)-3-((tert-butoxycarbonyl)amino)-4-hydroxypiperidine-1-carboxylate;1052715-76-0;S10991;trans (+/-)-benzyl 3-(tert-butoxycarbonylamino)-4-hydroxypiperidine-1-carboxylate;Benzyl (3R,4R)-3-[(tert-butoxycarbonyl)amino]-4-hydroxypiperidine-1-carboxylate;trans(+/-)-benzyl 3-(tert-butoxycarbonylamino)-4-hydroxypiperidine-1-carboxylate;Benzyl rel-(3R,4R)-3-((tert-butoxycarbonyl)amino)-4-hydroxypiperidine-1-carboxylate;Benzyl (3R,4R)-3-((tert-butoxycarbonyl)amino)-4-hydroxypiperidine-1-carboxylate;

标识符

InChIKey:
ZOHDMZDTYNCUBC-HUUCEWRRSA-N
Inchi:
1S/C18H26N2O5/c1-18(2,3)25-16(22)19-14-11-20(10-9-15(14)21)17(23)24-12-13-7-5-4-6-8-13/h4-8,14-15,21H,9-12H2,1-3H3,(H,19,22)/t14-,15-/m1/s1
SMILES:
N1(C(OCC2=CC=CC=C2)=O)CC[C@@H](O)[C@H](NC(OC(C)(C)C)=O)C1

(3R,4R)-苄基3-(叔丁氧基羰基氨基)-4-羟基哌啶-1-羧酸(1052715-76-0)物化性质

实验特性

  • LogP : 2.61190
  • PSA : 88.10000

计算特性

  • 精确分子量 : 350.18400
  • 氢键供体数量 : 2
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 6
  • 同位素质量 : 350.18417193g/mol
  • 重原子数量 : 25
  • 复杂度 : 457
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 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 : 88.1Ų

(3R,4R)-苄基3-(叔丁氧基羰基氨基)-4-羟基哌啶-1-羧酸(1052715-76-0)推荐厂家 更多厂家(6)