3-氟-L-苯丙氨酸 | 19883-77-3
3-氟-L-苯丙氨酸
3-Fluoro-L-phenylalanine
19883-77-3
C9H10FNO2
183.179605960846
名称和标识符
MDL |
MFCD00066450 |
InChIKey |
VWHRYODZTDMVSS-QMMMGPOBSA-N |
Inchi |
1S/C9H10FNO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 |
SMILES |
FC1=CC=CC(=C1)C[C@@H](C(=O)O)N |
BRN |
2725762 |
别名信息
- 中文别名 -
- 3-氟-L-苯丙氨酸
- L-3-氟苯丙氨酸
- 3-Fluoro-L-phenylalanine 3-氟-L-苯丙氨酸
- 3-氟-L-苯丙氨酸 L-3-F-Phe-OH
- -氟-L-阿拉明叔苯胺
- 间氟-L-苯丙氨酸
- L-3-F-苯丙氨酸
- 3-氟-L-阿拉明叔苯胺
- 3-氟-L-苯丙氨酸 10G
- 英文别名 -
- 3-Fluoro-L-phenylalanine
- H-m-Fluoro-Phe-OH
- H-Phe(3-F)-OH
- L-3-Fluorophe
- H-L-Phe(3-F)-OH
- L-(3-Fluorophenyl)alanine
- L-3-Fluorophenylalanine
- L-Phenylalanine, 3-fluoro-
- (S)-2-Amino-3-(3-fluorophenyl)propionic Acid
- L-3-F-Phe-OH
- H-PHE(M-F)-OH
- L-Phe(3-F)-OH
- 3-FLUORO-L-PHE
- L-3-Fluoro-phe-OH
- 3-FLUORO-L-PHE-OH
- AC-5827
- (2S)-2-azanyl-3-(3-fluorophenyl)propanoic acid
- A814034
- m-Fluoro-L-phenylalanine
- C9H10FNO2
- (s)-2-amino-3-(3-fluorophenyl)propanoic acid
- MFCD00066450
- VWHRYODZTDMVSS-QMMMGPOBSA-N
- h-phe(3-f)-oh
- (2S)-2-amino-3-(3-fluorophenyl)propanoic acid
- 3-fluoro-l-phe
- CHEBI:77957
- Q27147557
- L-3-fluorophenylalanine
- AKOS012010904
- F0272
- DTXSID50941737
- (s)-2-amino-3-(3-fluoro-phenyl)-propionic acid
- m-Fluoro-L-phenylalanine, >=99.0% (sum of enantiomers, HPLC)
- AM83336
- m-Fl-phenylalanine
- CS-12006
- CS-0011429
- l-(3-fluorophenyl)alanine
- 19883-77-3
- CHEMBL300672
- FL-PHE
- SCHEMBL42949
- EN300-317048
- h-m-fluoro-phe-oh
- m-Fluoro-phenylalanine
- L-3-FLUOROPHE
- H-PHE(3-F)-OH
- H-M-FLUORO-PHE-OH
物化性质
实验特性
LogP |
1.48040 |
PSA |
63.32 |
折射率 |
-6 ° (C=2, 1mol/L HCl) |
沸点 |
305℃ at 760 mmHg |
熔点 |
250-254°C |
闪点 |
138.3°C |
颜色与性状 |
未确定 |
溶解性 |
未确定 |
比旋光度 |
-25 º (c=1% in H2O) |
光学活性 |
[α]20/D −25±2°, c = 1% in H2O |
密度 |
1.293 |
计算特性
精确分子量 |
183.0696 |
氢键供体数量 |
2 |
氢键受体数量 |
3 |
可旋转化学键数量 |
3 |
同位素质量 |
183.069557 |
重原子数量 |
13 |
复杂度 |
187 |
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) |
无 |
互变异构体数量 |
无 |
表面电荷 |
0 |
拓扑分子极性表面积 |
63.3 |
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Intramolecular cation–π interactions in protonated phenylalanine derivatives
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参考资料
Reaxys RN |
2725762 |
Beilstein |
2725762 |
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