(2S)-2-amino-4-hydroxybutanoic acid

• ChemBase编号: 3806
• 分子式: C4H9NO3
• 平均质量: 119.11916
• 单一同位素质量: 119.05824315
• SMILES: N[C@@H](CCO)C(=O)O
• Canonical SMILES: OCC[C@@H](C(=O)O)N
• InChI: InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
• InChIKey: UKAUYVFTDYCKQA-VKHMYHEASA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-amino-4-hydroxybutanoic acid
• IUPAC传统名: L-homoserine
• 别名: L-高丝氨酸; L-2-Amino-4-hydroxybutyric acid; H-Hser-OH; Hse; L-Homoserine; (S)-2-Amino-4-hydroxybutyric acid; L-Homoserine; 2-Amino-4-hydroxybutyric Acid; (S)-2-Amino-4-hydroxybutanoic Acid; NSC 206251

登记号

• CAS号: 672-15-1
• EC号: 211-590-6
• MDL号: MFCD00063090
• Beilstein号: 1721681
• 默克索引号: 144739
• PubChem SID: 160967243; 46504898; 24895748
• PubChem CID: 12647

理论计算性质

JChem

• Acid pKa: 2.2233198
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -3.8276682
• LogD (pH = 7.4): -3.8344793
• Log P: -3.8277326
• 摩尔折射率: 26.9064 cm^3
• 极化性: 10.868561 Å^3
• 极化表面积: 83.55 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -3.31
• LOG S: 0.55
• 溶解度: 4.23e+02 g/l

分子性质

理化性质

• 溶解度: Water
• 外观: White to Off-White Solid
• 熔点: 179-182°C (dec.); 203 °C (dec.)(lit.); ca 203°C dec.
• 比旋光度: [α]20/D -9±1°, c = 2% in H2O; -9 (c=2 in water)

安全信息

• 保存条件: 2-8°C; Refrigerator
• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: R:36/37/38
• 安全公开号: S:20-25-26-37/39
• TSCA收录: false; 否
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99%; ≥98.0% (NT); 95+%; 98%; 99%
• 干燥失重: ≤0.5% loss on drying
• 线性分子式: HOCH2CH2CH(NH2)CO2H

详细说明

MP Biomedicals - 02101983

Purity: 99+%

DrugBank - DB04193

Drug information: experimental

Sigma Aldrich - H6515

包装
1, 5 g in poly bottle
250 mg in poly bottle
10 mg in autosmp vl
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. H6515.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Sigma Aldrich - 53600

Other Notes
Substrate for the assay of homoserine dehydrogenase (EC 1.1.1.3)1