2-amino-4-(2H3)methyl(2H7)pentanoic acid

• ChemBase编号: 151076
• 分子式: C6H13NO2
• 平均质量: 131.17292
• 单一同位素质量: 131.09462866
• SMILES: CC(C)CC(C(=O)O)N
• Canonical SMILES: NC(C(=O)O)CC(C)C
• InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
• InChIKey: ROHFNLRQFUQHCH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-4-(^2H₃)methyl(^2H₇)pentanoic acid
• IUPAC传统名: 2-amino-4-(^2H₃)methyl(^2H₇)pentanoic acid
• 别名: DL-亮氨酸-2,3,3,4,5,5,5,5′,5′,5′-d10; DL-亮氨酸-d10; DL-Leucine-2,3,3,4,5,5,5,5′,5′,5′-d10; DL-Leucine-d10

登记号

• CAS号: 29909-01-1
• MDL号: MFCD01073907
• PubChem SID: 24872747; 162245234
• PubChem CID: 16213561

理论计算性质

• LogD (pH = 7.4): -1.5889318
• Log P: -1.5861572
• 摩尔折射率: 34.1709 cm^3
• 极化性: 13.835553 Å^3
• 极化表面积: 63.32 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• Acid pKa: 2.787709
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.58655

分子性质

理化性质

• 熔点: 293-296 °C (subl.)(lit.)
• 质量偏移: M+10

安全信息

• 德国WGK号: 3

产品相关信息

• 同位素纯度: 98 atom % D
• Mol. Weight: mol wt 141.23 by atom % calculation
• 线性分子式: (CD3)2CDCD2CD(NH2)CO2H

详细说明

Sigma Aldrich - 492426

包装
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.