(2S)-2-amino-4-methyl(5,5,5-2H3)pentanoic acid

• ChemBase编号: 135730
• 分子式: C6H13NO2
• 平均质量: 131.17292
• 单一同位素质量: 131.09462866
• SMILES: CC(C)C[C@@H](C(=O)O)N
• Canonical SMILES: N[C@H](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)/t5-/m0/s1
• InChIKey: ROHFNLRQFUQHCH-YFKPBYRVSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-amino-4-methyl(5,5,5-^2H₃)pentanoic acid
• IUPAC传统名: (2S)-2-amino-4-methyl(5,5,5-^2H₃)pentanoic acid
• 别名: L-亮氨酸-5,5,5-d3; L-Leucine-5,5,5-d3; SILAC Amino Acid; (2S)-2-Amino-4-methylpentanoic Acid-d3; (S)-(+)-Leucine-d3; (S)-2-Amino-4-methylpentanoic Acid-d3; (S)-2-Amino-4-methylvaleric Acid-d3; (S)-Leucine-d3; L-(+)-Leucine-d3; L-2-Amino-4-methylpentanoic Acid-d3; L-α-Aminoisocaproic Acid-d3; NSC 46709-d3; L-Leucine-d3

登记号

• CAS号: 87828-86-2
• MDL号: MFCD00144628
• PubChem SID: 24872215; 162230003
• PubChem CID: 11073472

理论计算性质

• Acid pKa: 2.787709
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.58655
• 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

分子性质

理化性质

• 溶解度: Water
• 外观: White Solid
• 熔点: >298°C (Sublime); >300 °C(lit.)
• 比旋光度: [α]25/D +14.5°, c = 2 in 5 M HCl
• 质量偏移: M+3

安全信息

• 保存条件: Refrigerator
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 同位素纯度: 99 atom % D
• 适用性: S & P tested
• Mol. Weight: mol wt 134.17 by atom % calculation
• 线性分子式: CH3CH(CD3)CH2CH(NH2)CO2H

详细说明

Sigma Aldrich - 486825

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.

Sigma Aldrich - 661554

包装
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.

Toronto Research Chemicals - L330112

Labelled L-Leucine used as tracers to study human apolipoprotein B metabolism. L-Leucine is an essential amino acid. L-Leucine acts as a nutrient signal to stimulate protein synthesis. It has also activates the mammalian target of rapamycin kinase that re

参考文献

• Demant, T. et al.: Am. J. Physiol., 270, E1022 (1996)
• Diraison, F. et al.: Am. J. Physiol., 277, E529 (1996)
• Suryawan, A. et al.: J. Anim. Sci., 89, 2004 (1996)
• Peyrollier, K. et al.: Biochem. J., 350, 361 (1996)