(2S,3R,4S,5R,6R)-2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

• ChemBase编号: 105753
• 分子式: C14H16BrNO6
• 平均质量: 374.18394
• 单一同位素质量: 373.01609924
• SMILES: Brc1ccc2c(c(O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)c[nH]2)c1
• Canonical SMILES: OC[C@H]1O[C@@H](Oc2c[nH]c3c2cc(Br)cc3)[C@@H]([C@H]([C@H]1O)O)O
• InChI: InChI=1S/C14H16BrNO6/c15-6-1-2-8-7(3-6)9(4-16-8)21-14-13(20)12(19)11(18)10(5-17)22-14/h1-4,10-14,16-20H,5H2/t10-,11+,12+,13-,14-/m1/s1
• InChIKey: LINMATFDVHBYOS-MBJXGIAVSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3R,4S,5R,6R)-2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC传统名: (2S,3R,4S,5R,6R)-2-[(5-bromo-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• 别名: 5-Bromo-3-indolyl β-D-galactopyranoside; Bluo-GAL; 5-BROMO-3-INDOLYL-β-D-GALACTOPYRANOSIDE

登记号

• CAS号: 97753-82-7
• MDL号: MFCD00063691
• Beilstein号: 1550140
• PubChem SID: 24891771; 162092831; 24891417
• PubChem CID: 126898

理论计算性质

• Acid pKa: 12.19988
• 质子受体: 6
• 质子供体: 5
• LogD (pH = 5.5): 0.26912692
• LogD (pH = 7.4): 0.26912013
• Log P: 0.269127
• 摩尔折射率: 78.8926 cm^3
• 极化性: 32.64875 Å^3
• 极化表面积: 115.17 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 比旋光度: [α]20/D -34.5±2.0°, c = 1% in DMF/H2O 1:1

安全信息

• 保存条件: -20°C, Desiccate, Protect from light; -20°C, Desiccate, Store Under Nitrogen, Protect from light
• 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; 2-8°C

产品相关信息

• 纯度: ≥98%; ≥98%; ≥98.0% (HPLC)
• 级别: MOLECULAR BIOLOGY
• 适用性: suitable for substrate for β-galactosidase
• Empirical Formula (Hill Notation): C14H16BrNO6

详细说明

MP Biomedicals - 02194814

Molecular Biology Grade
Purity: >98%
An α-galactosidase substrate which is converted to an insoluble indigo-blue chromophore darker than that released by X-GAL. It is ideal for Lac gene detection systems in immunoblotting, immunocytochemical, and histological applications.
Protect from light and humidity.

MP Biomedicals - 02193926

Purity: >98%
An α-galactosidase substrate which is converted to an insoluble indigo-blue chromophore darker than that released by X-GAL. It is ideal for Lac gene detection systems in immunoblotting, immunocytochemical, and histological applications.
Protect from light and humidity.

Sigma Aldrich - B4387

Application
Chromogenic substrate suitable for identification of lac+ bacterial colonies. An alternative to 5-bromo-4-chloro-3-indolyl β-D-galactopyranoside (X-Gal), producing a darker blue color.

Sigma Aldrich - B2904

Application
Chromogenic substrate suitable for identification of lac+ bacterial colonies. An alternative to 5-bromo-4-chloro-3-indolyl β-D-galactopyranoside (X-Gal), producing a darker blue color.

Sigma Aldrich - 17395

Application
Chromogenic substrate suitable for identification of lac+ bacterial colonies. An alternative to 5-bromo-4-chloro-3-indolyl β-D-galactopyranoside (X-Gal), producing a darker blue color.