CAS 18656-96-7|cyclohexanaminium 6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate|5-BROMO-4-CHLORO-3-INDOLYL-β-D-GLUCURONIDE CYCLOHEXYLAMMONIUM SALT|X-Glucuro|@cycloh...

基本信息

化学结构

分子式

C₂₀H₂₆BrClN₂O₇

分子量

521.78664

精确质量

520.06119086

电荷

InChI

InChI=1S/C14H13BrClNO7.C6H13N/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;7-6-4-2-1-3-5-6/h1-3,9-12,14,17-20H,(H,21,22);6H,1-5,7H2

InChIKey

JXCKZXHCJOVIAV-UHFFFAOYSA-N

Canonic Smiles

[O-]C(=O)C1OC(Oc2c[nH]c3c2c(Cl)c(cc3)Br)C(C(C1O)O)O.[NH3+]C1CCCCC1

Isomeric Smiles

[NH3+]C1CCCCC1.OC1C(O)C(OC(C1O)C(=O)[O-])Oc1c[nH]c2ccc(Br)c(Cl)c12

计算属性

JChem

Acid pKa

2.9452777

质子受体

质子供体

LogD (pH = 5.5)

-1.3187351

LogD (pH = 7.4)

-2.2872984

Log P

1.1934463

摩尔折射率

94.4019

极化性

34.548016

极化表面积

135.07

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC标准名

cyclohexanaminium 6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate

别名

5-BROMO-4-CHLORO-3-INDOLYL-β-D-GLUCURONIDE CYCLOHEXYLAMMONIUM SALTX-GlucuroX-GlcA5-BROMO-4-CHLORO-3-INDOLYL-β-D-GLUCURONIDE

IUPAC传统名

@cyclohexylammonium ion 6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate

名称和标识

数据登录号

CAS号

18656-96-7

PubChem SID

162093825

PubChem CID

16760327

数据登录号

化合物性质

分子相关蛋白质

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描述信息

MP Biomedicals

02194812

Molecular Biology Reagent
Cyclohexylammonium Salt
Purity: >98%
A β-glucuronidase substrate which forms an intense blue precipitate upon enzymatic action. Used for the detection of the GUS gene in bacterial colonies and in histochemical applications.
Protect from light and humidity.

02193924

Cyclohexylammonium Salt
Purity: >95%
A β-glucuronidase substrate which forms an intense blue precipitate upon enzymatic action. Used for the detection of the GUS gene in bacterial colonies and in histochemical applications.
Protect from light and humidity.

描述信息

参考文献

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生物活性

PubChem BioAssay

生物活性

导航

基本信息

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