sodium 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonate

• ChemBase编号: 103615
• 分子式: C7H16NNaO6S
• 平均质量: 265.25981
• 单一同位素质量: 265.05960252
• SMILES: [Na+].OCC(CO)(CO)NCCCS(=O)(=O)[O-]
• Canonical SMILES: OCC(NCCCS(=O)(=O)[O-])(CO)CO.[Na+]
• InChI: InChI=1S/C7H17NO6S.Na/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14;/h8-11H,1-6H2,(H,12,13,14);/q;+1/p-1
• InChIKey: FEGYIWVHCSRXCG-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonate
• IUPAC传统名: sodium 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonate; potassium 3-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino}propane-1-sulfonate
• 别名: N-[三(羟甲基)甲基]-3-氨基丙磺酸 钠-钾盐; [(2-羟基-1,1-二(羟甲基)乙基)氨基]-1-丙磺酸 钠-钾盐; 三羟甲基甲胺基丙磺酸 钠盐; TAPS sodium salt; [(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)amino]-1-propanesulfonic acid sodium-potassium salt; N-tris(Hydroxymethyl)methyl-3-aminopropanesulfonic acid sodium-potassium salt; TAPS

登记号

• CAS号: 91000-53-2
• MDL号: MFCD00069903
• PubChem SID: 24899903; 24900282; 162090984
• PubChem CID: 23667519

理论计算性质

• Acid pKa: -0.89833564
• 质子受体: 7
• 质子供体: 4
• LogD (pH = 5.5): -4.4181337
• LogD (pH = 7.4): -4.4420524
• Log P: -4.417834
• 摩尔折射率: 51.5601 cm^3
• 极化性: 21.75712 Å^3
• 极化表面积: 129.92 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• pKa: 8.4

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 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%; ≥99% (titration)
• 级别: for molecular biology
• 适用性: suitable for cell culture
• 杂质: ≤1% water; ≤1% water content (Karl Fischer); endotoxin and bioburden, tested
• 痕量阳离子: heavy metals (as Pb): ≤5 ppm; Pb: <5 ppm
• Foreign Activity: DNase, RNase, protease, none detected
• pH范围: 7.7 - 9.1

详细说明

MP Biomedicals - 02152458

Sodium Salt
Crystalline