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68-94-0 分子结构
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6,9-dihydro-1H-purin-6-one

ChemBase编号:3700
分子式:C5H4N4O
平均质量:136.11146
单一同位素质量:136.03851077
SMILES和InChIs

SMILES:
O=c1[nH]cnc2[nH]cnc12
Canonical SMILES:
O=c1[nH]cnc2c1nc[nH]2
InChI:
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey:
FDGQSTZJBFJUBT-UHFFFAOYSA-N

引用这个纪录

CBID:3700 http://www.chembase.cn/molecule-3700.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
6,9-dihydro-1H-purin-6-one
6,7-dihydro-1H-purin-6-one
purin-6-one
IUPAC传统名
1,9-dihydro-6H-purin-6-one
sarkin
6-oxopurine
别名
6-羟基嘌呤
次黄嘌呤
6-Hydroxypurine
HYPOXANTHINE ANHYDROUS
1,9-dihydro-6H-purin-6-one
Hypoxanthine
Hypoxanthine
CAS号
68-94-0
EC号
200-697-3
MDL号
MFCD00005725
Beilstein号
5811
PubChem SID
24895850
160967138
46507200
24895864
PubChem CID
790
23644335

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 8.524195  质子受体
质子供体 LogD (pH = 5.5) -0.8796391 
LogD (pH = 7.4) -0.90742445  Log P -0.8792696 
摩尔折射率 36.0452 cm3 极化性 11.929484 Å3
极化表面积 70.14 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -0.86  LOG S -1.43 
溶解度 5.16e+00 g/l 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
1 M NaOH: soluble25 mg/mL expand 查看数据来源
外观
powder expand 查看数据来源
熔点
>300 °C(lit.) expand 查看数据来源
150°C (dec.) expand 查看数据来源
299 - 300°C expand 查看数据来源
疏水性(logP)
-1.49 expand 查看数据来源
保存条件
Room Temperature (15-30°C) expand 查看数据来源
RTECS编号
UP0791000 expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
2-8°C expand 查看数据来源
作用靶点
Others expand 查看数据来源
纯度
≥99% expand 查看数据来源
≥99% expand 查看数据来源
≥99.0% (HPLC) expand 查看数据来源
95% expand 查看数据来源
98% expand 查看数据来源
成盐信息
Free Base expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
适用性
suitable for cell culture expand 查看数据来源
Empirical Formula (Hill Notation)
C5H4N4O expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals DrugBank DrugBank Sigma Aldrich Sigma Aldrich
MP Biomedicals -  05208579 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals -  02102030 external link
Anhydrous
Crystalline
Purity: 99+%
DrugBank -  DB04076 external link
Item Information
Drug Groups experimental
Description A purine and a reaction intermediate in the metabolism of adenosine and in the formation of nucleic acids by the salvage pathway. [PubChem]
Sigma Aldrich -  H9636 external link
Application
Use to prepare hybridoma selection and maintenance media.
Hypoxanthine is a nutrient additive for a variety of cell culture applications involving bacterial, parasite (Plasmodium falciparum) and animal cells. Hypoxanthine is a component of selection media used in hybridoma technologies.
Sigma Aldrich -  H9377 external link
包装
1, 5, 25, 100 g in poly bottle
Application
Hypoxanthine is a nutrient additive for a variety of cell culture applications involving bacterial, parasite (Plasmodium falciparum) and animal cells. Hypoxanthine is a component of selection media used in hybridoma technologies.
Hypoxanthine is the purine base of the nucleoside inosine. Hypoxanthine may be used as a substrate to study the specificity and kinetics of hypoxanthine-guanine phosphoribosyl transferases.
Sigma Aldrich -  H61200 external link
Application
Hypoxanthine is a nutrient additive for a variety of cell culture applications involving bacterial, parasite (Plasmodium falciparum) and animal cells. Hypoxanthine is a component of selection media used in hybridoma technologies.
Sigma Aldrich -  56700 external link
Application
Hypoxanthine is a nutrient additive for a variety of cell culture applications involving bacterial, parasite (Plasmodium falciparum) and animal cells. Hypoxanthine is a component of selection media used in hybridoma technologies.

参考文献

参考文献

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专利

专利

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