(2S)-2-amino-3-carbamoylpropanoic acid hydrate

• ChemBase编号: 71242
• 分子式: C4H10N2O4
• 平均质量: 150.1332
• 单一同位素质量: 150.06405681
• SMILES: OC(=O)[C@H](CC(=O)N)N.O
• Canonical SMILES: NC(=O)C[C@@H](C(=O)O)N.O
• InChI: InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1
• InChIKey: RBMGJIZCEWRQES-DKWTVANSSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-2-amino-3-carbamoylpropanoic acid hydrate
• IUPAC传统名: L-asparagine hydrate
• 别名: (S)-(+)-2-氨基琥珀酰胺酸; (S)-2-氨基琥珀酸-4-酰胺; L-天冬氨酸-4-酰胺; L-天冬酰胺 一水合物; L-(+)-天冬酰胺酸,一水合物; L-Asparagine monohydrate; (S)-2,4-Diamino-4-oxobutanoic acid hydrate; (S)-(+)-2-Aminosuccinamic acid; (S)-2-Aminosuccinic acid 4-amide; L-Aspartic acid 4-amide; Agedoite; Asparamide; L-Asparagine monohydrate; L-2-Aminosuccinamic acid monohydrate; H-Asn-OH.H2O; L-(+)-Asparagine monohydrate

登记号

• CAS号: 5794-13-8
• EC号: 200-735-9
• MDL号: MFCD00151038
• Beilstein号: 5767869; 1723527
• 默克索引号: 14837
• PubChem SID: 162036832; 24847037; 24891338; 24890843; 24891175; 24847036
• PubChem CID: 170358

理论计算性质

• Acid pKa: 1.9985391
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): -4.2879124
• LogD (pH = 7.4): -4.3236184
• Log P: -4.287831
• 摩尔折射率: 28.3549 cm^3
• 极化性: 11.510928 Å^3
• 极化表面积: 106.41 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: 1 M HCl: soluble0.5 M at 20 °C, clear, colorless; H2O: soluble20 mg/mL
• 外观: powder
• 熔点: 233-235 °C(lit.); 233-235°C; ca 245°C dec.
• 密度: 1.543; 1.600
• 比旋光度: [α]20/D +22°, c = 1 in 0.1 M HCl; [α]20/D +31±1°, c = 5% in 5 M HCl; +31 (c=5 in 5N HCl)
• 紫外吸收波长: λ: 260 nm Amax: 0.15; λ: 280 nm Amax: 0.10

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 1
• TSCA收录: true; 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: ≥99%; ≥98.0%; ≥99% (TLC); ≥99.0% (NT); ≥99.5% (NT); 95+%; 98%; 98+%; 99%
• 适用性: suitable for cell culture
• 燃烧残渣: ≤0.05% (as SO4)
• 杂质: ≤0.1% foreign amino acids; ≤0.3% foreign amino acids; endotoxin, tested; insoluble matter, passes filter test
• 痕量阳离子: Al: ≤10 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤5 mg/kg; Zn: ≤5 mg/kg
• 痕量阴离子: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• 生物来源: from non-animal source
• λ: 0.5 M in 1 M HCl
• 产品线: BioReagent; BioUltra
• 线性分子式: NH2COCH2CH(NH2)COOH · H2O

详细说明

MP Biomedicals - 02194631

Cell Culture Reagent
Monohydrate
Crystalline
Purity: 99+%

MP Biomedicals - 02100795

Monohydrate
Crystalline
Purity: 99+%

Sigma Aldrich - A8381

包装
1 kg in poly bottle
100 g in poly bottle

Sigma Aldrich - A7094

Biochem/physiol Actions
L-Asparagine, a proteinogenic amino acid, from non-animal source is used in biomanufacturing cell culture systems for the production of therapeutic recombinant proteins and monoclonal antibodies.

参考文献

• Starting material for synthesis of ? -amino acids: Arch. Pharm., 324, 551 (1991)