L-2-氨基己二酸 | 1118-90-7
中文名称:
L-2-氨基己二酸
英文名称:
(2S)-2-aminohexanedioic acid
CAS No.:
1118-90-7
分子式:
C6 H1 1 NO4
分子量:
161.16
名称和标识符
MDL
MFCD00002636
InChIKey
OYIFNHCXNCRBQI-BYPYZUCNSA-N
Inchi
1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
SMILES
C(C[C@@H](C(=O)O)N)CC(=O)O
BRN
1724348
别名信息
- 中文别名 -
L-2-氨基己二酸
L-alpha-氨基己二酸
L-a-氨基己二酸
L-α-氨基己二酸
(2S)-2-氨基己二酸
(S)-2-氨基己二酸
2-氯-4-硝基苯甲酸
2-氯-7-甲基吡咯并嘧啶
L-2-Aminoadipic Acid L-2-氨基己二酸
L-2-氨基己二酸标准品
L-2-胺基己二酸
L-α-氨基已二酸
- 英文别名 -
L-2-Aminoadipic acid
L-α-Aminohexanoic Diacid
L-a-Aminoadipic acid
L-α-Aminoadipic acid
(S)-2-Aminohexanedioic acid
(2S)-2-Amino-hexanedioic Acid
2-Aminohexanedioic acid
AMINOADIPIC ACID, L-2-(RG)
H-Aad-OH
(2S)-2-aminoadipic acid
(S)-2- aminoadipic acid
(S)-2-amino-hexanedioic acid
CHEBI:37023
L-Homoglutamic acid
(2S)-2-aminohexanedioic acid
物化性质
实验特性
LogP
0.35350
PSA
106.28
折射率
1.4230 (estimate)
水溶性
Soluble in 1N HCl (50 mg/ml) and water (slightly).
沸点
287.44°C (rough estimate)
熔点
203-205 ºC (dec.)
闪点
173.9 °C
颜色与性状
White to Yellow Solid
溶解性
稍微可溶解的
比旋光度
22 º (c=2, 5 N HCl 25 ºC)
密度
1.3482 (rough estimate)
计算特性
精确分子量
159.05317
氢键供体数量
3
氢键受体数量
5
可旋转化学键数量
5
同位素质量
161.069
重原子数量
11
复杂度
157
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
101A^2
相关文献
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Stereoselective assembly of amino acid-based metal–biomolecule nanofibers
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2.
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6.
Oxidation of amine α-carbon to amide: a review on direct methods to access the amide functionality
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10.
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参考资料
Reaxys RN
1724348
Beilstein
4(4)3070
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