disodium 8-hydroxy-7-[2-(6-sulfonatonaphthalen-2-yl)diazen-1-yl]quinoline-5-sulfonate

• ChemBase编号: 104402
• 分子式: C19H11N3Na2O7S2
• 平均质量: 503.41608
• 单一同位素质量: 502.98338027
• SMILES: [Na+].[Na+].Oc1c(cc(c2cccnc12)S(=O)(=O)[O-])/N=N/c1ccc2cc(ccc2c1)S(=O)(=O)[O-]
• Canonical SMILES: Oc1c(/N=N/c2ccc3c(c2)ccc(c3)S(=O)(=O)[O-])cc(c2c1nccc2)S(=O)(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C19H13N3O7S2.2Na/c23-19-16(10-17(31(27,28)29)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30(24,25)26)6-4-11(12)8-13;;/h1-10,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2
• InChIKey: IFVGQKHFUZRWNA-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 8-hydroxy-7-[2-(6-sulfonatonaphthalen-2-yl)diazen-1-yl]quinoline-5-sulfonate
• IUPAC传统名: dipotassium 8-hydroxy-7-[2-(6-sulfonatonaphthalen-2-yl)diazen-1-yl]quinoline-5-sulfonate
• 别名: Naphthylazoxine 6S; 8-Hydroxy-7-[6-sulfo-2-naphthylazo]-5-quinolinesulfonic acid disodium salt; NAPHTHYLAZOXINE S

登记号

• CAS号: 56932-43-5
• EC号: 260-449-5
• PubChem SID: 162091535
• PubChem CID: 5484180

理论计算性质

• Acid pKa: -4.036651
• 质子受体: 10
• 质子供体: 1
• LogD (pH = 5.5): -1.1683913
• LogD (pH = 7.4): -1.1684381
• Log P: -1.0094559
• 摩尔折射率: 111.731 cm^3
• 极化性: 45.305016 Å^3
• 极化表面积: 172.24 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

安全信息

• 保存条件: Room Temperature (15-30°C)

产品相关信息

• 纯度: Dye Content ~50%

详细说明

MP Biomedicals - 02155795

(Naphthylazoxine 6S; 8-Hydroxy-7-[6-sulfo-2-naphthylazo]-5- quinolinesulfonic acid disodium salt) Dye content: ~ 50%