6'-(acetyloxy)-2',4',5',7'-tetrabromo-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3'-yl acetate

• ChemBase编号: 155860
• 分子式: C24H12Br4O7
• 平均质量: 731.96388
• 单一同位素质量: 727.73165072
• SMILES: CC(=O)Oc1c(cc2c(c1Br)Oc1c(cc(c(c1Br)OC(=O)C)Br)C12c2ccccc2C(=O)O1)Br
• Canonical SMILES: CC(=O)Oc1c(Br)cc2c(c1Br)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1Br)OC(=O)C)Br
• InChI: InChI=1S/C24H12Br4O7/c1-9(29)32-21-15(25)7-13-19(17(21)27)34-20-14(8-16(26)22(18(20)28)33-10(2)30)24(13)12-6-4-3-5-11(12)23(31)35-24/h3-8H,1-2H3
• InChIKey: ADWIDTFZSUABGT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6'-(acetyloxy)-2',4',5',7'-tetrabromo-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3'-yl acetate
• IUPAC传统名: 6'-(acetyloxy)-2',4',5',7'-tetrabromo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl acetate
• 别名: Eosin diacetate

登记号

• CAS号: 7284-92-6
• MDL号: MFCD00037519
• Beilstein号: 71271
• PubChem SID: 24868700; 162249998
• PubChem CID: 5218602

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.777006
• LogD (pH = 7.4): 6.777006
• Log P: 6.777006
• 摩尔折射率: 140.0143 cm^3
• 极化性: 54.0514 Å^3
• 极化表面积: 88.13 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: acetone: soluble; DMF: soluble

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥98.0% (TLC)
• 级别: for fluorescence
• 适用性: in accordance for fluorescence
• Empirical Formula (Hill Notation): C24H12Br4O7

详细说明

Sigma Aldrich - 45244

Application
suitable as fluorogenic substrate for esterases
Other Notes
Fluorogenic substrate for esterases and lipases1