DL-β-苯丝氨酸,一水 | 69-96-5
DL-β-苯丝氨酸,一水
DL-β-Phenylserine, threo form
69-96-5
C9H11NO3.H2O
199.20382
名称和标识符
MDL |
MFCD00004502 |
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 -
- Dl-beta-苯基丝氨酸
- DL-Β-苯基丝氨酸
- 水合DL-苏-3-苯基丝氨酸
- DL-beta-苯丝氨酸,一水
- DL-β-苯丝氨酸,一水
- 英文别名 -
- Phenylalanine, b-hydroxy-
- DL-THREO-3-PHENYLSERINE
- (.+-.)-N-CBZ-3-phenylisoserine ethyl ester
- (2RS,3SR)-2-amino-3-hydroxy-3-phenylpropanoic acid
- AG-B-35921
- AK119100
- CTK7F8350
- KB-206613
- N-benzoyl-(2R*,3S*)-3-phenylisoserine
- N-BENZOYL-(2S,3R)-3-AMINO-2-HYDROXY-3-PHENYL-PROPANOIC ACID
- N-Benzoyl-(2S,3R)-3-amino-2-hydroxy-3-phenyl-propionic acid
- rac-threo-phenylserine
- threo N-benzoyl-3-phenylisoserine
- 3-Phenylserine
- 2-Amino-3-hydroxy-3-phenylpropionic acid
- DL-3-Phenylserine
- L-threo-3-Phenylserine
- L-threo-3-Phenylserine
- SW8FJ04200
- SW8FJ04200
- DL-Phenylalanine, beta-hydroxy-
- DL-Phenylalanine, beta-hydroxy-
- DL-beta-Phenylserine, threo form
- DL-beta-Phenylserine, threo form
- 68296-26-4
- 68296-26-4
- AKOS001634924
- AKOS001634924
- NSC-206268
- NSC-206268
- BB 0259482
- BB 0259482
- DTXSID30910522
- DTXSID30910522
- DL-threo-b-Phenylserine
- DL-threo-b-Phenylserine
- NSC-206281
- NSC-206281
- EN300-151049
- EN300-151049
- DL-beta-Phenylserine
- DL-beta-Phenylserine
- AKOS016340740
- AKOS016340740
- Cambridge id 5132934
- Cambridge id 5132934
- MFCD00004502
- MFCD00004502
- SCHEMBL443815
- NSC 10123
- SCHEMBL443815
- 7695-56-9
- NSC 10123
- Threo-DL-phenyl-serine
- 7695-56-9
- dl-3-phenylserine
- Threo-DL-phenyl-serine
- FT-0625519
- dl-3-phenylserine
- (2S,3R)-2-Amino-3-hydroxy-3-phenylpropionic acid
- FT-0625519
- EINECS 200-721-2
- (2S,3R)-2-Amino-3-hydroxy-3-phenylpropionic acid
- SDCCGMLS-0064619.P001
- EINECS 200-721-2
- A853069
- SDCCGMLS-0064619.P001
- NSC206268
- A853069
- ST049173
- NSC206268
- NS00002730
- ST049173
- 1078-17-7
- NS00002730
- HMS1544C10
- 1078-17-7
- UNII-SW8FJ04200
- HMS1544C10
- beta-Hydroxyphenylalanine
- UNII-SW8FJ04200
- CS-0455042
- beta-Hydroxyphenylalanine
- FT-0770929
- CS-0455042
- FT-0770929
- 69-96-5
- 69-96-5
- DL-Threo-3-phenylserine
- NSC10123
- DL-Threo-3-phenylserine
- FT-0679253
- NSC10123
- beta-Hydroxy-3-phenyl-DL-alanine
- FT-0679253
- D-Phenylalanine, b-hydroxy-, (bS)-rel-
- beta-Hydroxy-3-phenyl-DL-alanine
- 2-Amino-3-hydroxy-3-phenylpropanoic acid threo form
- D-Phenylalanine, b-hydroxy-, (bS)-rel-
- TimTec1_003574
- 2-Amino-3-hydroxy-3-phenylpropanoic acid threo form
- J-013602
- TimTec1_003574
- FT-0652048
- J-013602
- NSC206281
- FT-0652048
- VHVGNTVUSQUXPS-UHFFFAOYSA-N
- NSC206281
- SS-3359
- VHVGNTVUSQUXPS-UHFFFAOYSA-N
- NS00101107
- SS-3359
- CHEMBL4852226
- NS00101107
- NSC-10123
- CHEMBL4852226
- 2-amino-3-hydroxy-3-phenylpropanoic acid
- NSC-10123
- DL-threo-beta-Phenylserine
- 2-amino-3-hydroxy-3-phenylpropanoic acid
- DL-threo-beta-Phenylserine
物化性质
实验特性
熔点 |
194-195 ºC |
颜色与性状 |
白色或浅灰色结晶。 |
溶解性 |
微溶于水,难溶于乙醇、乙醚。 |
密度 |
1.335 |
计算特性
精确分子量 |
181.07389321g/mol |
氢键供体数量 |
3 |
氢键受体数量 |
4 |
可旋转化学键数量 |
3 |
同位素质量 |
181.07389321g/mol |
重原子数量 |
13 |
复杂度 |
178 |
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 |
2 |
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 |
表面电荷 |
0 |
拓扑分子极性表面积 |
83.6 |
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