(2R)-2-acetamido-4-methylpentanoic acid

• ChemBase编号: 70211
• 分子式: C8H15NO3
• 平均质量: 173.2096
• 单一同位素质量: 173.10519335
• SMILES: C(=O)([C@H](NC(=O)C)CC(C)C)O
• Canonical SMILES: CC(C[C@H](C(=O)O)NC(=O)C)C
• InChI: InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m1/s1
• InChIKey: WXNXCEHXYPACJF-SSDOTTSWSA-N

名称和登记号

名称

• IUPAC标准名: (2R)-2-acetamido-4-methylpentanoic acid
• IUPAC传统名: D-leucine, N-acetyl-
• 别名: N-乙酰基-D-亮氨酸; N-Acetyl-D-leucine; N-Acetyl-D-leucine; Ac-D-Leu-OH

登记号

• CAS号: 19764-30-8
• MDL号: MFCD00066069
• PubChem SID: 24890460; 162035934
• PubChem CID: 1241420

理论计算性质

• Acid pKa: 4.2017617
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -0.8227732
• LogD (pH = 7.4): -2.5380116
• Log P: 0.49424544
• 摩尔折射率: 43.6147 cm^3
• 极化性: 17.246698 Å^3
• 极化表面积: 66.4 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• 德国WGK号: 3
• TSCA收录: false; 否
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: 95+%; 99%

详细说明

Sigma Aldrich - A0876

Biochem/physiol Actions
N-Acetyl-D-leucine is a substrate for D-aminoacylase from Alcaligenes xylosoxydans subsp. xylosoxydans A-6. N-Acetyl-D-leucine is used to help differentiate members of the amidohydrolase enzyme superfamily. It is a preferred substrate of Gox1177 from Gluconobacter oxidans.