trisodium 8-aminopyrene-1,3,6-trisulfonate

• ChemBase编号: 158632
• 分子式: C16H8NNa3O9S3
• 平均质量: 523.40033
• 单一同位素质量: 522.90542668
• SMILES: c1cc2c(cc(c3c2c2c1c(cc(c2cc3)S(=O)(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• Canonical SMILES: Nc1cc(c2c3c1ccc1c3c(cc2)c(cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C16H11NO9S3.3Na/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10;;;/h1-6H,17H2,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3
• InChIKey: XSTNYACEWLNWPY-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: trisodium 8-aminopyrene-1,3,6-trisulfonate
• IUPAC传统名: trisodium 8-aminopyrene-1,3,6-trisulfonate
• 别名: 8-Aminopyrene-1,3,6-trisulfonic Acid Trisodium Salt; 1,3,6-Pyrenetrisulfonic acid, 8-amino trisodium salt; APTS; Trisodium 8-aminopyrene-1,3,6-trisulfonate; 8-Aminopyrene-1,3,6-trisulfonic acid trisodium salt

登记号

• CAS号: 196504-57-1
• MDL号: MFCD00674494
• PubChem SID: 24891192; 162252768
• PubChem CID: 9849652

理论计算性质

• Acid pKa: -3.487392
• 质子受体: 10
• 质子供体: 1
• LogD (pH = 5.5): -6.052441
• LogD (pH = 7.4): -6.1303835
• Log P: -3.0343106
• 摩尔折射率: 99.9254 cm^3
• 极化性: 44.05905 Å^3
• 极化表面积: 197.62 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Brownish Orange Solid; solid
• 熔点: >200°C (dec.); ≥250 °C(lit.)

安全信息

• 保存条件: Refrigerator
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥96.0% (HPCE)
• Empirical Formula (Hill Notation): C16H8NNa3O9S3

详细说明

Sigma Aldrich - A7222

Application
APTS is a fluorescence reagent that has been demonstrated to have a high level of detection sensitivity for sugars 1 The LOD for APTS-derivatized sugars has been shown to be 0.4 nM when using a 488 nm argon-ion laser. The multi-anionic nature of APTS makes it ideal for the studies of carbohydrate molecules 2,3,4,5,6,7,8 and small hormone molecules 9 by high resolution capillary electrophoresis.

Toronto Research Chemicals - A629045

Fluorescent label for glycoproteins and saccharides.

参考文献

• Wang, D., et al.: Langmuir, 17, 1262 (2001)
• Cappuccio, F., et al.: J. Fluoresc., 14, 521 (2001)
• Cordes, D., et al.: Org. Biomol. Chem., 3, 1708 (2001)