N-[(9H-芴-9-基甲氧基)羰基]-D-谷氨酸-5-叔丁酯水合物 | 7695-56-9
中文名称:
N-[(9H-芴-9-基甲氧基)羰基]-D-谷氨酸-5-叔丁酯水合物
英文名称:
DL-threo-b-Phenylserine
CAS No.:
7695-56-9
分子式:
C9 H1 1 NO3
分子量:
181.18854
名称和标识符
InChIKey
VHVGNTVUSQUXPS-UHFFFAOYSA-N
Inchi
InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)
SMILES
C1=CC=C(C=C1)C(C(C(=O)O)N)O
别名信息
- 中文别名 -
2-氨基-3-羟基-3-苯基丙酸
2-胺基-3-羟基-3-苯基-丙酸酯
N-[(9H-芴-9-基甲氧基)羰基]-D-谷氨酸-5-叔丁酯水合物
- 英文别名 -
D-Phenylalanine, b-hydroxy-, (bS)-rel-
2-AMINO-3-HYDROXY-3-PHENYLPROPANOIC ACID
DL-THREO-3-PHENYLSERINE
2-AMINO-3-HYDROXY-3-PHENYL-PROPIONIC ACID
rac-threo-phenylserine
L-threo-3-Phenylserine
SW8FJ04200
DL-Phenylalanine, beta-hydroxy-
DL-beta-Phenylserine, threo form
68296-26-4
AKOS001634924
NSC-206268
BB 0259482
DTXSID30910522
DL-threo-b-Phenylserine
NSC-206281
EN300-151049
DL-beta-Phenylserine
AKOS016340740
Cambridge id 5132934
MFCD00004502
SCHEMBL443815
NSC 10123
7695-56-9
Threo-DL-phenyl-serine
dl-3-phenylserine
FT-0625519
(2S,3R)-2-Amino-3-hydroxy-3-phenylpropionic acid
EINECS 200-721-2
SDCCGMLS-0064619.P001
A853069
NSC206268
ST049173
NS00002730
1078-17-7
HMS1544C10
UNII-SW8FJ04200
beta-Hydroxyphenylalanine
CS-0455042
FT-0770929
69-96-5
DL-Threo-3-phenylserine
NSC10123
FT-0679253
beta-Hydroxy-3-phenyl-DL-alanine
2-Amino-3-hydroxy-3-phenylpropanoic acid threo form
TimTec1_003574
J-013602
FT-0652048
NSC206281
VHVGNTVUSQUXPS-UHFFFAOYSA-N
SS-3359
NS00101107
CHEMBL4852226
NSC-10123
2-amino-3-hydroxy-3-phenylpropanoic acid
DL-threo-beta-Phenylserine
物化性质
实验特性
LogP
0.83220
PSA
83.55000
折射率
1.609
沸点
398 °C at 760 mmHg
闪点
194.5 °C
密度
1.335
计算特性
精确分子量
181.07400
氢键供体数量
2
氢键受体数量
3
可旋转化学键数量
2
同位素质量
181.073893
重原子数量
13
复杂度
172
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)
-2.5
拓扑分子极性表面积
88
相关文献
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Tetramate derivatives by chemoselective Dieckmann ring closure of allo-phenylserines, and their antibacterial activity
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3.
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4.
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5.
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6.
56. Some derivatives of β-phenylserine
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7.
Formation of an aminoacyl-S-enzyme intermediate is a key step in the biosynthesis of chloramphenicol
Michelle Pacholec,Jason K. Sello,Christopher T. Walsh,Michael G. Thomas Org. Biomol. Chem. 2007 5 1692
8.
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Max Frankel,Mordechai Broze,David Gertner,Albert Zilkha J. Chem. Soc. C 1966 249
9.
The β-phenylserine series. Part III
Ernst D. Bergmann,H. Bendas,E. Krakauer J. Chem. Soc. 1954 1064
10.
329. The β-phenylserine series. Part IV
Ernst D. Bergmann,H. Resnick J. Chem. Soc. 1956 1662