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

• ChemBase编号: 105749
• 分子式: C14H15BrClNO6
• 平均质量: 408.629
• 单一同位素质量: 406.97712689
• SMILES: OC[C@H]1O[C@H](Oc2c[nH]c3cc(c(Br)cc23)Cl)[C@H](O)[C@@H](O)[C@H]1O
• Canonical SMILES: OC[C@H]1O[C@H](Oc2c[nH]c3c2cc(Br)c(c3)Cl)[C@@H]([C@H]([C@H]1O)O)O
• InChI: InChI=1S/C14H15BrClNO6/c15-6-1-5-8(2-7(6)16)17-3-9(5)22-14-13(21)12(20)11(19)10(4-18)23-14/h1-3,10-14,17-21H,4H2/t10-,11+,12+,13-,14+/m1/s1
• InChIKey: CHRVKCMQIZYLNM-HTOAHKCRSA-N

名称和登记号

名称

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

登记号

• CAS号: 93863-88-8
• MDL号: MFCD02683897
• PubChem SID: 162093854
• PubChem CID: 26369095

理论计算性质

• 质子受体: 6
• 质子供体: 5
• LogD (pH = 5.5): 0.8731716
• LogD (pH = 7.4): 0.87316483
• Log P: 0.8731717
• 摩尔折射率: 83.6974 cm^3
• 极化性: 34.63629 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
• Acid pKa: 12.199709

分子性质

安全信息

• 保存条件: -20°C
• 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%; ≥98.0% (HPLC)
• 适用性: suitable for substrate for β-galactosidase
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C14H15BrClNO6

详细说明

MP Biomedicals - 02193922

Purity: >98%
A chromogenic substrate for β-_D -galactosidase and an alternative to X-GAL which produces an insoluble magenta chromophore in lac^+ bacterial colonies. It may be used in histochemistry for enzyme activity localization in mammalian tissues.
Protect from light and humidity.

Sigma Aldrich - B8931

Application
Chromogenic substrate for β-galactosidase producing a red or magenta insoluble product.