(5R)-3-hexadecanoyl-4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-one

• ChemBase编号: 155060
• 分子式: C21H36O5
• 平均质量: 368.50754
• 单一同位素质量: 368.25627425
• SMILES: CCCCCCCCCCCCCCCC(=O)C1=C([C@H](OC1=O)CO)O
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)C1=C(O)[C@H](OC1=O)CO
• InChI: InChI=1S/C21H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(23)19-20(24)18(16-22)26-21(19)25/h18,22,24H,2-16H2,1H3/t18-/m1/s1
• InChIKey: KZTSLHQKWLYYAC-GOSISDBHSA-N

名称和登记号

名称

• IUPAC标准名: (5R)-3-hexadecanoyl-4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-one
• IUPAC传统名: (5R)-3-hexadecanoyl-4-hydroxy-5-(hydroxymethyl)-5H-furan-2-one
• 别名: (R)-3-Hexadecanoyl-5-hydroxymethyltetronic acid; (R)-4-Hydroxy-5-(hydroxymethyl)-3-(1-oxohexadecyl)-2(5H)-furanone; RK-682

登记号

• CAS号: 150627-37-5
• MDL号: MFCD20488046
• PubChem SID: 162249198
• PubChem CID: 54678922

理论计算性质

• Acid pKa: 0.45706382
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 2.1158733
• LogD (pH = 7.4): 2.10293
• Log P: 5.6322308
• 摩尔折射率: 103.1675 cm^3
• 极化性: 40.520706 Å^3
• 极化表面积: 83.83 Å^2
• 可自由旋转的化学键: 16
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO, heptane and xylene: ≥8 mg/mL
• 外观: white to tan powder

安全信息

• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C21H36O5

详细说明

Sigma Aldrich - R2033

Biochem/physiol Actions
RK-682 is a specific and noncompetitive inhibitor of protein tyrosine phosphatase; It inhibited dephosphorylation activity of CD45 and VHR with IC50 54 and 2.0 microM and 4.5 microM against PTP1B.
Specific and noncompetitive inhibitor of protein tyrosine phosphatase.