BOC-D-4-氟苯丙氨酸 | 57292-45-2
BOC-D-4-氟苯丙氨酸
(2R)-2-(tert-butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid
57292-45-2
C14H18FNO4
283.2954
名称和标识符
MDL |
MFCD00079669 |
InChIKey |
RCXSXRAUMLKRRL-LLVKDONJSA-N |
Inchi |
1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1 |
SMILES |
FC1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])[C@]([H])(C(=O)O[H])N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] |
别名信息
- 中文别名 -
- BOC-D-4-氟苯丙氨酸
- N-叔丁氧羰基-D-4-氟苯丙氨酸
- N-(叔丁氧羰基)-4-氟-D-苯丙氨酸
- N-(tert-Butoxycarbonyl)-4-fluoro-D-phenylalanine N-(叔丁氧羰基)-4-氟-D-苯丙氨酸
- 丁氧羰基对氟-D-苯丙氨酸
- 英文别名 -
- Boc-4-fluoro-D-phenylalanine
- Boc-p-fluoro-D-Phe-OH
- Boc-D-Phe(4-F)-OH
- N-tert-Butoxycarbonyl-4-fluorophenyl-D-alanine
- Boc-D-4-Fluorophe
- NALPHA-tert-Butoxycarbonyl-3-(4-fluorophenyl)-D-alanine
- N-(tert-Butoxycarbonyl)-4-fluoro-D-phenylalanine
- (2R)-3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
- (R)-2-TERT-BUTOXYCARBONYLAMINO-3-(4-FLUORO-PHENYL)-PROPIONIC ACID
- Boc-4-L-Fluoro-D-Phe-OH
- Boc-D-4-Fluorophenylalanine
- N-Boc-4-fluoro-D-phenylalanine
- (R)-N-BOC-4-Fluorophenylalanine
- tert-Butoxycarbonyl-D-4-fluorophenylalanine
- boc-4-fluoro-d-phe
- boc-d-4-fluoro phenylalanine
- (R)-2-((tert-Butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoic acid
- Boc-4-fluoro-D-beta-phenylalanine
- (2r)-2-[(tert-butoxycarbonyl)amino]-3-(4-fluorophenyl)propanoic acid
- n-alpha-t-butyloxycarbonyl-d-4-fluorophenylalanine
- D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-flu
- BOC-4-fluoro-D-phenylalanine
- BOC-p-fluoro-D-Phe-OH
- BOC-D-Phe(4-F)-OH
- (R)-N-Boc-4-Fluorophenylalanine
- (2R)-2-(tert-butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid
- BOC-d-4-Fluorophenylalanine
- CS-W010038
- BOC-D-4-Fluorophe
- AC-9900
- Boc-D-Phe(4-F)-OH, >=99.0% (TLC)
- 2-(R)-tert-butoxycarbonylamino-3-(4-fluorophenyl)propionic acid
- AKOS016843602
- AM83346
- N-BOC-D-4-FLUOROPHENYLALANINE
- 57292-45-2
- MFCD00079669
- (2R)-2-{[(Tert-Butoxy)Carbonyl]Amino}-3-(4-Fluorophenyl)Propanoic Acid
- N-TERT-BUTOXY-D-4-FLUORO PHENYLALANINE
- RCXSXRAUMLKRRL-LLVKDONJSA-N
- boc-4-fluoro-l-phe
- (r)-2-tert-butoxycarbonylamino-3-(4-fluoro-phenyl)-propionic acid
- Boc-3-(4-fluorophenyl)-(R)-alanine
- B3303
- EN300-1071444
- (r)-2-(tert-butoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid
- boc-p-fluoro-d-phe-oh
- A831375
- J-300405
- SCHEMBL2109180
- N10782
- DS-15173
- N-alpha-t-Butyloxycarbonyl-D-4-fluorophenylalanine (Boc-D-Phe(4-F)-OH)
- (2R)-2-(tert-butoxycarbonylamino)-3-(4-fluorophenyl)propanoate
- N-Boc-4-fluoro-D-phenylalanine
- (2R)-2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-3-(4-fluorophenyl)propanoic acid
- D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-
- DTXSID80370334
- HY-W009322
物化性质
实验特性
LogP |
2.73700 |
PSA |
75.63000 |
沸点 |
431.2℃ at 760 mmHg |
熔点 |
84.0 to 88.0 deg-C |
闪点 |
214.6 °C |
颜色与性状 |
粉末 |
溶解性 |
未确定 |
比旋光度 |
-8 º (c=1,MeOH) |
密度 |
1.1918 (estimate) |
计算特性
精确分子量 |
283.12200 |
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 |
283.122 |
重原子数量 |
20 |
复杂度 |
346 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
1 |
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 |
互变异构体数量 |
2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
75.6 |
参考资料
Reaxys RN |
5876306 |
Beilstein |
4323475 |
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