L-别苏氨酸 | 28954-12-3
中文名称:
L-别苏氨酸
英文名称:
L-allo-Threonine
CAS No.:
28954-12-3
分子式:
C4 H9 NO3
分子量:
119.1192
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:L-别苏氨酸结构式
名称和标识符
MDL
MFCD00064268
InChIKey
AYFVYJQAPQTCCC-HRFVKAFMSA-N
Inchi
1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1
SMILES
O([H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(C(=O)O[H])N([H])[H]
BRN
1721645
别名信息
- 中文别名 -
L-别苏氨酸
L-allo-苏氨酸
L-别苏氨酸?
L-Allothreonine L-别苏氨酸
(2S,3S)-2-氨基-3-羟基丁酸
- 英文别名 -
L-Allothreonine
(2S,3S)-(+)-allo-Threonine
H-allo-Thr-OH
(2S,3S)-2-amino-3-hydroxybutanoic acid
Allo-Thr-OH
H-L-allo-Thr-OH
L(+)-allo-Threonine
L-allo-Threonine
(2S,3S)-2-Amino-3-hydroxybutyric acid
allo
allo-L-Threonine
DL-allo-Threonine
-Threonine
allothreonine
ALLO-THREONINE
rel-(2S,3S)-2-Amino-3-hydroxybutanoic acid
HCQ253CKVK
DL-allothreonine
Threonine, allo-
H-DL-allo-Thr-OH
l-(+)-allothreonine
(2S,3S)-2-Amino-3-hydr
(2S,3S)-2-azaniumyl-3-hydroxy-butanoate
9F03AEE4-59DA-4E42-B83D-06EE4AF23EAF
29NAP6417F
AKOS015924200
(2S,3S)-2-ammonio-3-hydroxybutanoate
144-98-9
L-allo-Threonine, 99%
HY-W008315
MFCD00064268
EN300-73665
BUTANOIC ACID, 2-AMINO-3-ALLO-HYDROXY-
DTXSID301030659
(2S,3S)-2-amino-3-hydroxybutanoate
Allothreonine, DL-
Z1162448524
(S)-ALLOTHREONINE
L-allo-Threonine, puriss., >=99.0% (TLC)
A819689
W-107016
AM82272
Q27103859
(2s,3s)-(+)-2-amino-3-hydroxybutyric acid
AC-22377
(2s 3s)-(+)-2-amino-3-hydroxybutyric acid
C05519
BCP08009
Allothreonine, L-
AYFVYJQAPQTCCC-HRFVKAFMSA-N
28954-12-3
CS-W008315
CHEBI:28718
UNII-HCQ253CKVK
L-
DTXSID10183151
4-04-00-03170 (Beilstein Handbook Reference)
NS00074066
AS-12250
EINECS 249-327-2
h-allo-thr-oh
BRN 1721645
NSC-41828
SCHEMBL117301
CHEMBL59238
NSC 206283
L-allo-threonine
NSC-206283
thr
(2s,3s)-2-amino-3-hydroxy-butyric acid
(S)-ALLO-THREONINE
物化性质
实验特性
LogP
-0.52060
PSA
83.55000
折射率
1.507
沸点
345.8℃ at 760 mmHg
熔点
272 °C (dec.) (lit.)
闪点
162.9 °C
颜色与性状
White to Yellow Solid
溶解性
未确定
比旋光度
9 º (c=2, H2O)
光学活性
[α]23/D +9.0°, c = 2 in H2O
密度
1.307
计算特性
精确分子量
119.05800
氢键供体数量
3
氢键受体数量
4
可旋转化学键数量
2
同位素质量
119.058
重原子数量
8
复杂度
93.3
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)
-2.9
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
83.6
海关数据
海关编码
2922509090
海关数据
中国海关编码:
2922509090
概述:
2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件:
A.入境货物通关单 B.出境货物通关单
检验检疫类别:
R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary:
2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
相关文献
1.
Lattice and thermodynamic characteristics of N-stearoyl-allo-threonine monolayers
G. Brezesinski,R. Rudert,D. Vollhardt Phys. Chem. Chem. Phys. 2020 22 2783
2.
Syntheses of isotopically labelled L-α-amino acids with an asymmetric centre at C-3
John R. Harding,Rachael A. Hughes,Nicholas M. Kelly,Andrew Sutherland,Christine L. Willis J. Chem. Soc. Perkin Trans. 1 2000 3406
3.
Methyl group configuration on acyclic threoninol nucleic acids (aTNAs) impacts supramolecular properties
Keiji Murayama,Hiromu Kashida,Hiroyuki Asanuma Org. Biomol. Chem. 2022 20 4115
4.
General method for the asymmetric synthesis of anti-diastereoisomers of β-substituted L-2-aminobutanoic acids via chiral nickel(II) Schiff's base complexes of dehydroaminobutanoic acid. X-Ray crystal and molecular structure of the nickel(II) complex of the Schiff's base from [(benzylprolyl)amino]benzophenone and dehydroaminobutanoic acid
Yuri N. Belokon',Ashot S. Sagyan,Silva A. Djamgaryan,Vladimir I. Bakhmutov,Sergei V. Vitt,Andrei S. Batsanov,Yuri T. Struchkov,Vasili M. Belikov J. Chem. Soc. Perkin Trans. 1 1990 2301
5.
A new d-threonine aldolase as a promising biocatalyst for highly stereoselective preparation of chiral aromatic β-hydroxy-α-amino acids
Qijia Chen,Xi Chen,Yunfeng Cui,Jie Ren,Wei Lu,Jinhui Feng,Qiaqing Wu,Dunming Zhu Catal. Sci. Technol. 2017 7 5964
6.
PLP-dependent enzymes as important biocatalysts for the pharmaceutical, chemical and food industries: a structural and mechanistic perspective
Juliana F. Rocha,André F. Pina,Sérgio F. Sousa,Nuno M. F. S. A. Cerqueira Catal. Sci. Technol. 2019 9 4864
7.
Recent progress on the chemical synthesis of bacterial non-2-ulosonic acids
Xing Guo,Pengfei Li,Han Liu,Xuechen Li Org. Chem. Front. 2023 10 3429
8.
Thermal deformations of crystal structures formed in the systems of malic acid enantiomers and l-valine–l-isoleucine enantiomers
Elena N. Kotelnikova,Anton I. Isakov,Heike Lorenz CrystEngComm 2018 20 2562
9.
Enzymatic asymmetric synthesis of chiral amino acids
Ya-Ping Xue,Cheng-Hao Cao,Yu-Guo Zheng Chem. Soc. Rev. 2018 47 1516
10.
Stereochemical course of the decarboxylation of 2-amino-2-methylmalonic acid by serine hydroxymethyltransferase
Neil R. Thomas,Verne Schirch,David Gani J. Chem. Soc. Perkin Trans. 1 1993 2925
参考资料
Reaxys RN
1721645
Beilstein
4(3)1629
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