2-{[(tert-butoxy)carbonyl]amino}-4-hydroxybutanoic acid

• ChemBase编号: 155168
• 分子式: C9H17NO5
• 平均质量: 219.23498
• 单一同位素质量: 219.11067265
• SMILES: CC(C)(C)OC(=O)NC(CCO)C(=O)O
• Canonical SMILES: OCCC(C(=O)O)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C9H17NO5/c1-9(2,3)15-8(14)10-6(4-5-11)7(12)13/h6,11H,4-5H2,1-3H3,(H,10,14)(H,12,13)
• InChIKey: PZEMWPDUXBZKJN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{[(tert-butoxy)carbonyl]amino}-4-hydroxybutanoic acid
• IUPAC传统名: 2-[(tert-butoxycarbonyl)amino]-4-hydroxybutanoic acid
• 别名: Boc-L-homoserine; Boc-Homoser-OH

登记号

• CAS号: 41088-86-2
• MDL号: MFCD00057839
• PubChem SID: 24891796; 162249306
• PubChem CID: 4118627

理论计算性质

• Acid pKa: 3.8952835
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -1.6838058
• LogD (pH = 7.4): -3.2895858
• Log P: -0.07356416
• 摩尔折射率: 51.7794 cm^3
• 极化性: 20.503893 Å^3
• 极化表面积: 95.86 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3
• 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

• Empirical Formula (Hill Notation): C9H17NO5

详细说明

Sigma Aldrich - B4645

Biochem/physiol Actions
Boc-L-homoserine is N-terminal protected α amino acid used in organic synthesis of compounds such as the functionalizable methionine surrogate azidohomoalanine.