potassium 6-methyl-2,2,4-trioxo-3,4-dihydro-1,2λ6,3-oxathiazin-3-ide

• ChemBase编号: 157814
• 分子式: C4H4KNO4S
• 平均质量: 201.24216
• 单一同位素质量: 200.94981029
• SMILES: CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]
• Canonical SMILES: O=C1C=C(C)OS(=O)(=O)[N-]1.[K+]
• InChI: InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1
• InChIKey: WBZFUFAFFUEMEI-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium 6-methyl-2,2,4-trioxo-3,4-dihydro-1,2λ^6,3-oxathiazin-3-ide
• IUPAC传统名: potassium 6-methyl-2,2,4-trioxo-3H-1,2λ^6,3-oxathiazin-3-ide
• 别名: 6-甲基-1,2,3-氧恶嗪-4(3H)-酮 2,2-二氧化物 钾盐; AK 糖; 6-Methyl-1,2,3-oxathiazin-4(3H)-one 2,2-dioxide potassium salt; Acesulfame K; 6-Methyl-3,4-dihydro-1,2,3-oxathiazin-4-one 2,2-Dioxide Potassium Salt; E 950; Otizon; Potassium Acesulfame; Sunett; Sunnett; Sweet One.; Acesulfame Potassium

登记号

• CAS号: 55589-62-3
• EC号: 259-715-3
• MDL号: MFCD00043833
• Beilstein号: 3637857
• PubChem SID: 162251951; 24870723; 24844910
• PubChem CID: 11074431
• E编码: E950

理论计算性质

• Acid pKa: 3.0168872
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.4835545
• LogD (pH = 7.4): -1.4943326
• Log P: -0.55152774
• 摩尔折射率: 32.7376 cm^3
• 极化性: 13.17461 Å^3
• 极化表面积: 69.67 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Water
• 外观: White to Off-White Solid
• 熔点: >250°C
• 甜度: 200 × sucrose

安全信息

• 保存条件: Refrigerator, Under Inert Atmosphere
• RTECS编号: RP4489165
• 德国WGK号: 1
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99.0%; ≥99.0% (HPLC)
• 级别: analytical standard; for food analysis
• 包装: pkg of 1 g
• Empirical Formula (Hill Notation): C4H4KNO4S

详细说明

Sigma Aldrich - 04054

Biochem/physiol Actions
无中毒或致癌作用的新型热稳定性甜味剂。Tas1r3 基因的等位基因突变影响了对该分子的行为性味觉响应，表明它是 T1R3 受体配体。

Toronto Research Chemicals - A132500

'New generation', heat-stable sweetener that has not been suspected to cause cancer nor be genotoxic. Allelic variation of the Tas1r3 gene affects behavioral taste responses to this molecule, suggesting that it is a T1R3 receptor ligand.

参考文献

• Armenta, S., et al.: J. Agric. Food Chem., 52, 7798 (2004)
• McCourt, J., et al.: Anal. Bioanal. Chem., 382, 1269 (2004)
• Capitan-Vallvey, L., et al.: Anal. Bioanal. Chem., 385, 385 (2004)