(2R)-2-amino-4-(methylsulfanyl)butanoic acid

• ChemBase编号: 2604
• 分子式: C5H11NO2S
• 平均质量: 149.21134
• 单一同位素质量: 149.0510496
• SMILES: CSCC[C@@H](N)C(=O)O
• Canonical SMILES: CSCC[C@H](C(=O)O)N
• InChI: InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
• InChIKey: FFEARJCKVFRZRR-SCSAIBSYSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2-amino-4-(methylsulfanyl)butanoic acid
• IUPAC传统名: (l)-methionine; D-methionine
• 别名: D-蛋氨酸; (R)-2-Amino-4-(methylmercapto)butyric acid; D-Methionine; L-2-Amino-4-(methylthio)butanoic acid; L-Methionine 99%; D-2-Amino-4-(methylthio)butanoic acid; D-Methionine; (R)-2-Amino-4-(methylthio)butyric acid; H-D-Met-OH

登记号

• CAS号: 348-67-4; 63-68-3
• EC号: 206-483-6
• MDL号: MFCD00063097; MFCD00002622
• Beilstein号: 1722293
• 默克索引号: 145975
• PubChem SID: 46505884; 160966053; 24897327
• PubChem CID: 84815

理论计算性质

JChem

• Acid pKa: 2.531921
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -2.1895034
• LogD (pH = 7.4): -2.1923122
• Log P: -2.1893265
• 摩尔折射率: 37.586 cm^3
• 极化性: 15.069385 Å^3
• 极化表面积: 63.32 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: -1.85
• LOG S: -0.8
• 溶解度: 2.39e+01 g/l

分子性质

理化性质

• 熔点: 273°C; 284(dec.)°C; ca 280°C dec.
• 比旋光度: [α]20/D -23.7±0.5°, c = 5% in 5 M HCl; -23 (c=2 in 2N HCl)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: PD0455000
• 德国WGK号: 3
• TSCA收录: 是
• 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% (TLC); ≥99.0% (NT); 97%; 99%
• 级别: puriss.
• Empirical Formula (Hill Notation): C5H11NO2S

详细说明

MP Biomedicals - 02102278

Crystalline
Purity: ~99%

MP Biomedicals - 05214153

MP Biomedicals Rare Chemical collection

DrugBank - DB02893

Drug information: experimental

Sigma Aldrich - M9375

包装
5, 25 g in poly bottle
Biochem/physiol Actions
D-methionine has been shown to rescue noise-induced hearing loss.