CAS 102212-99-7|5-BrdUTP|({[5-(5-bromo-2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid sodium|5-Bromo-2′-deoxyuridine 5′-trip...

基本信息

化学结构

分子式

C₉H₁₄BrN₂NaO₁₄P₃

分子量

570.027513

精确质量

568.87389431

电荷

InChI

InChI=1S/C9H14BrN2O14P3.Na/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18;/h2,5-7,13H,1,3H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18);

InChIKey

PLQOGWBVMURSAR-UHFFFAOYSA-N

Canonic Smiles

OC1CC(OC1COP(=O)(OP(=O)(OP(=O)(O)O)O)O)n1cc(Br)c(=O)[nH]c1=O.[Na]

Isomeric Smiles

c1c(c(=O)[nH]c(=O)n1C1CC(C(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)Br.[Na]

计算属性

JChem

Acid pKa

0.89528275

质子受体

质子供体

LogD (pH = 5.5)

-8.334284

LogD (pH = 7.4)

-9.154934

Log P

-1.6562735

摩尔折射率

91.2829

极化性

37.52471

极化表面积

238.69

可自由旋转的化学键

里宾斯基五规则

false

数据来源

学术数据

产品目录

数据来源

名称和标识

别名

5-BrdUTP5-Bromo-2′-deoxyuridine 5′-triphosphate sodium salt

IUPAC传统名

({[5-(5-bromo-2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid sodium

IUPAC标准名

({[({[5-(5-bromo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid sodium

名称和标识

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MDL号

PubChem SID

CAS号

PubChem CID

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化合物性质

产品相关信息

纯度

≥90%

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

Sigma Aldrich

B0631

Application
5-Bromo-2′-deoxyuridine 5′-triphosphate (5-BrdUTP) may be used as a labeling TdT substrate for terminal deoxynucleotidyl transferase (TdT) reactions or for DNA synthesis. BrdUTP is also used as an effective mutagenic agent. 5-BrdUTP labeling may be detected by immunological techniques or 5-BrdUTP may be derivitized by biotinylation or other methods for detection by fluorogenic or chromogenic methods.

描述信息

参考文献

PubChem文献

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生物活性

PubChem BioAssay

生物活性

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学术数据

产品目录

名称和标识

别名

5-BrdUTP5-Bromo-2′-deoxyuridine 5′-triphosphate sodium salt

IUPAC传统名

({[5-(5-bromo-2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid sodium

IUPAC标准名

({[({[5-(5-bromo-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid sodium

数据登录号

MDL号

PubChem SID

CAS号

PubChem CID

化合物性质