D-正缬氨酸 | 2013-12-9
D-正缬氨酸
D-Norvaline
2013-12-9
C5H11NO2
117.14634
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简介
D-Norvaline 是一种缬氨酸衍生物。
名称和标识符
MDL |
MFCD00008097 |
InChIKey |
SNDPXSYFESPGGJ-SCSAIBSYSA-N |
Inchi |
1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1 |
SMILES |
CCC[C@H](C(=O)O)N |
BRN |
1721161 |
别名信息
- 中文别名 -
- D-正缬氨酸
- D-2-氨基戊酸
- D(-)-缬氨酸
- D-Norvaline D-正缬氨酸
- D-缬氨酸
- 1-萘异硫氰酸酯
- D-原缬氨酸
- D-正穿心排草氨基酸
- (R)-(-)-2-氨基戊酸
- (R)-2-氨基戊酸
- R-2-氨基戊酸
- D-正缬氨酸,医药级,纯度:>99%
- 英文别名 -
- D-Norvaline
- D-(-)-2-Aminovaleric acid
- (R)-2-Aminovaleric Acid
- D(-)-Norvaline
- 1-Naphthyl isothiocyanate
- D(-)-2-Aminovaleric acid
- NORVALINE D(-)-FORM [MI]
- CS-0015963
- alpha-Aminovaleric acid
- (2~{R})-2-azanylpentanoic acid
- D-2-Aminovaleric acid
- EN300-52917
- BDBM50357223
- Norvaline, D-
- HY-41309
- N-9000
- Norvaline #
- (.+-.)-Norvaline
- (2R)-2-aminopentanoic acid
- H-D-Nva-OH
- alpha-aminopentanoic acid
- AM20090147
- D-Ape
- UNII-102E6YF9W5
- norvalines
- CHEBI:28804
- A814271
- DL-alpha -Aminovaleric acid
- dl-alpha-Amino-N-valenic acid
- MFCD00008097
- (2R)-2-azanylpentanoic acid
- (R)-2-AMINOPENTANOIC ACID
- D-.ALPHA.-AMINOVALERIC ACID
- C01799
- 2-Amino-DL-Valeric acid
- D-(-)-Norvaline
- NS00081262
- D-2-Aminopentanoic acid
- (2R)-2-azaniumylpentanoate
- Z763365012
- D-Nva
- D-Norvaline, 99%
- SCHEMBL197812
- AKOS016842315
- 102E6YF9W5
- N0673
- Q27103908
- AC-24059
- DTXSID40942157
- Norvaline (ACD/Name 4.0)
- 2013-12-9
- CHEMBL1916081
- 4E196C57-449D-4636-BBBA-8D7CF53D6B8E
- alpha -DL-Aminopentanoic acid
- EINECS 217-936-2
- (R)-norvaline
- (.+/-.)-Norvaline
- (R)-(-)-2-Aminopentanoic acid
- AS-12608
物化性质
实验特性
LogP |
0.89870 |
PSA |
63.32 |
Merck |
6716 |
折射率 |
-25 ° (C=10, 6mol/L HCl) |
水溶性 |
溶解 |
沸点 |
222.9ºC at 760 mmHg |
熔点 |
>300 °C (lit.) |
闪点 |
88.6ºC |
颜色与性状 |
粉末 |
溶解性 |
未确定 |
比旋光度 |
-24 º (c=5, 5N HCl) |
光学活性 |
[α]20/D −24°, c = 10 in 5 M HCl |
密度 |
1.2000 (estimate) |
计算特性
精确分子量 |
117.07903 |
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 |
117.079 |
重原子数量 |
8 |
复杂度 |
82.5 |
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) |
-2.1 |
表面电荷 |
0 |
拓扑分子极性表面积 |
63.3 |
相关文献
-
1.
Structure-guided engineering of meso-diaminopimelate dehydrogenase for enantioselective reductive amination of sterically bulky 2-keto acids
Xinkuan Cheng,Xi Chen,Jinhui Feng,Qiaqing Wu,Dunming Zhu Catal. Sci. Technol. 2018 8 4994
-
2.
Heteromolecular compounds in binary systems of amino acids with opposite and same chiralities
Anton I. Isakov,Heike Lorenz,Andrey A. Zolotarev,Elena N. Kotelnikova CrystEngComm 2020 22 986
-
3.
Substrate-product analogue inhibitors of isoleucine 2-epimerase from Lactobacillus buchneri by rational design
Noa T. Sorbara,Joshua W. M. MacMillan,Gregory D. McCluskey,Stephen L. Bearne Org. Biomol. Chem. 2019 17 8618
-
4.
Chemical approach for interconversion of (S)- and (R)-α-amino acids
Alexander E. Sorochinsky,Hisanori Ueki,José Luis Ace?a,Trevor K. Ellis,Hiroki Moriwaki,Tatsunori Sato,Vadim A. Soloshonok Org. Biomol. Chem. 2013 11 4503
-
5.
Amino acid hydrogen oxalate quasiracemates – sulfur containing side chains
Russell G. Wells,Katriel D. Sahlstrom,Kraig A. Wheeler CrystEngComm 2021 23 8061
-
6.
Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline
M. M. H. Smets,E. Kalkman,P. Tinnemans,A. M. Krieger,H. Meekes,H. M. Cuppen CrystEngComm 2017 19 5604
-
7.
Organic chemistry
J. Chem. Soc. Abstr. 1921 120 i533
-
8.
Enzymatic asymmetric synthesis of chiral amino acids
Ya-Ping Xue,Cheng-Hao Cao,Yu-Guo Zheng Chem. Soc. Rev. 2018 47 1516
-
9.
Amino acid hydrogen oxalate quasiracemates – hydrocarbon side chains
Russell G. Wells,Katriel D. Sahlstrom,Franklin I. Ekelem,Kraig A. Wheeler CrystEngComm 2021 23 8053
-
10.
Exploring the solid state phase transition in dl-norvaline with terahertz spectroscopy
Jens Neu,Coleen T. Nemes,Kevin P. Regan,Michael R. C. Williams,Charles A. Schmuttenmaer Phys. Chem. Chem. Phys. 2018 20 276
参考资料
Reaxys RN |
1721161 |
Beilstein |
4(4)2629 |
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