sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate

• ChemBase编号: 69519
• 分子式: C4H4NNaO6S
• 平均质量: 217.13243
• 单一同位素质量: 216.96570213
• SMILES: [Na+].C1(=O)C(CC(=O)N1O)S(=O)(=O)[O-]
• Canonical SMILES: O=C1CC(C(=O)N1O)S(=O)(=O)[O-].[Na+]
• InChI: InChI=1S/C4H5NO6S.Na/c6-3-1-2(12(9,10)11)4(7)5(3)8;/h2,8H,1H2,(H,9,10,11);/q;+1/p-1
• InChIKey: RPENMORRBUTCPR-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate
• IUPAC传统名: sodium 1-hydroxy-2,5-dioxopyrrolidine-3-sulfonate
• 别名: 磺基-NHS; 羟基-2,5-二氧代吡咯烷-3-磺酸 钠盐; N-羟基硫代琥珀酰亚胺 钠盐; N-羟基磺酸基琥珀酰亚胺钠盐; Hydroxy-2,5-dioxopyrrolidine-3-sulfonicacid sodium salt; Sulfo-NHS; N-Hydroxysulfosuccinimide sodium salt; 1-Hydroxy-2,5-dioxo-3-pyrrolidinesulfonic Acid Sodium Salt; Sodium N-Hydroxysulfosuccinimide; Sulfo-N-hydroxysuccinimide Sodium Salt; N-Hydroxysulfosuccinimide sodium salt

登记号

• CAS号: 106627-54-7
• MDL号: MFCD00043100
• Beilstein号: 6359129
• PubChem SID: 162035245; 24880203
• PubChem CID: 3520574

理论计算性质

• Acid pKa: -1.6474011
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): -4.0827622
• LogD (pH = 7.4): -4.5068345
• Log P: -1.6970406
• 摩尔折射率: 32.9041 cm^3
• 极化性: 14.316888 Å^3
• 极化表面积: 114.81 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: Methanol; Water
• 外观: White Solid
• 熔点: 250°C; 295-299°C (dec.)

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere
• 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

产品相关信息

• 纯度: ≥98% (HPLC); 95+%; 97%
• 主要成分: carbon, 21.57-22.68 (anhydrous); nitrogen, 6.28-6.61 (anhydrous)
• 杂质: ≤4% water
• Empirical Formula (Hill Notation): C4H4NNaO6S

详细说明

Sigma Aldrich - 56485

Other Notes
磺基-NHS 用于制备亲水性活性酯，如交联剂1,2
包装
1, 5 g in glass bottle
250 mg in glass bottle

Toronto Research Chemicals - H954000

N-Hydroxysulfosuccinimide Sodium Salt is a hydrophilic ligand for the preparation of active esters, which can be used for crosslinking agents.

参考文献

• Klibanov, A.L., et al.: Appl. Biochem. Biotechnol., 22, 45 (1989)
• Marcussen, J., et al.: Anal. Biochem., 198, 318 (1989)
• Verheul, A.F.M., et al.: Infect. Immun., 59, 843 (1989)