sodium carbamoylformate

• ChemBase编号: 102923
• 分子式: C2H2NNaO3
• 平均质量: 111.03195
• 单一同位素质量: 110.99323721
• SMILES: [Na+].NC(=O)C(=O)[O-]
• Canonical SMILES: NC(=O)C(=O)[O-].[Na+]
• InChI: InChI=1S/C2H3NO3.Na/c3-1(4)2(5)6;/h(H2,3,4)(H,5,6);/q;+1/p-1
• InChIKey: RQVZIJIQDCGIKI-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium carbamoylformate
• IUPAC传统名: sodium oxamate; potassium oxamate
• 别名: 氨基氧乙酸 钠盐; 草氨酸 钠盐; 草酸单酰胺 钠盐; 草氨酸钠; Sodium oxamate; Oxamic acid sodium salt; Oxamic acid sodium salt; Sodium oxamate; Aminooxoacetic acid sodium salt; Oxalic acid monoamide sodium salt; OXAMIC ACID SODIUM SALT

登记号

• CAS号: 565-73-1
• EC号: 209-290-5
• MDL号: MFCD00044553
• Beilstein号: 6538153
• PubChem SID: 24278607; 162089372
• PubChem CID: 5242

理论计算性质

• Acid pKa: 2.485492
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -3.9762661
• LogD (pH = 7.4): -4.582959
• Log P: -1.0706942
• 摩尔折射率: 27.0979 cm^3
• 极化性: 6.310887 Å^3
• 极化表面积: 83.22 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL, clear, colorless
• 熔点: >300°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• TSCA收录: 是
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98%; ≥99.0% (NT); 98%
• 线性分子式: NH2COCOONa

详细说明

MP Biomedicals - 02105564

Sodium Salt
Crystalline
Purity: 98%

Sigma Aldrich - O2751

Biochem/physiol Actions
Structural analog of pyruvate, inhibits L(+)-lactate dehydrogenase and derails the entire gluconeogenic pathway1. Binding studies with lactate dehydrogenase2; Mechanism of inhibition of mitochondrial pyruvate metabolism3

Sigma Aldrich - 75791

Other Notes
Structural analog of pyruvate, inhibits L(+)-lactate dehydrogenase and derails the entire gluconeogenic pathway1. Binding studies with lactate dehydrogenase2; Mechanism of inhibition of mitochondrial pyruvate metabolism3