2-amino-N,3-dihydroxypropanamide

• ChemBase编号: 133553
• 分子式: C3H8N2O3
• 平均质量: 120.10722
• 单一同位素质量: 120.05349213
• SMILES: C(C(C(=O)NO)N)O
• Canonical SMILES: OCC(C(=O)NO)N
• InChI: InChI=1S/C3H8N2O3/c4-2(1-6)3(7)5-8/h2,6,8H,1,4H2,(H,5,7)
• InChIKey: LELJBJGDDGUFRP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-N,3-dihydroxypropanamide
• IUPAC传统名: 2-amino-N,3-dihydroxypropanamide
• 别名: SHX; DL-Serine hydroxamate

登记号

• CAS号: 55779-32-3
• MDL号: MFCD00055712
• PubChem SID: 162227830; 24899606
• PubChem CID: 101173

理论计算性质

• Acid pKa: 8.762041
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): -4.3823786
• LogD (pH = 7.4): -2.8091202
• Log P: -2.643154
• 摩尔折射率: 25.6278 cm^3
• 极化性: 10.399013 Å^3
• 极化表面积: 95.58 Å^2
• 可自由旋转的化学键: 2
• 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

详细说明

Sigma Aldrich - S4503

Application
Serine analog that inhibits seryl-tRNA synthetase.1,2 DL-Serine hydroxamate is used to induce metabolic synthesis of guanosine 3′-diphosphate 5′-diphosphate (ppGpp) in E. coli by amino acid starvation.3 Also used to synchronize cell cycle in E. coli cultures by inhibition of tRNA charging.4