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61-19-8 分子结构
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{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

ChemBase编号:17
分子式:C10H14N5O7P
平均质量:347.221221
单一同位素质量:347.06308444
SMILES和InChIs

SMILES:
P(=O)(OC[C@H]1O[C@@H](n2c3ncnc(N)c3nc2)[C@H](O)[C@@H]1O)(O)O
Canonical SMILES:
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O
InChI:
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey:
UDMBCSSLTHHNCD-KQYNXXCUSA-N

引用这个纪录

CBID:17 http://www.chembase.cn/molecule-17.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
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
IUPAC传统名
adenosine monophosphate
adenylate
商标名
Adenovite
Cardiomone
Lycedan
My-B-Den
Phosaden
Phosphaden
别名
5'-Adenosine monophosphate
5'-AMP
5'-Adenylic acid
Adenosine-5-monophosphoric acid
Adenosine-5'-monophosphoric acid
Adenosine-5'-Monophosphate
Adenosine phosphate
Adenosine 5'-phosphoric acid
Adenosine 5'-phosphate
Adenosine 5'-monophosphate
Adenosine 5'-(dihydrogen phosphate)
Adenylate
Adenylic acid
AMP
Phosphentaside
Adenosine monophosphate
A-5'-P
ADENOSINE-5'-MONOPHOSPHATE MONOHYDRATE
CAS号
61-19-8
18422-05-4
PubChem SID
160963480
46507628
PubChem CID
6083
CHEBI ID
16027
CHEMBL
752
Chemspider ID
5858
DrugBank ID
DB00131
IUPHAR配体索引
2455
KEGG ID
C00020
医学主题词(MeSH)
Adenosine+monophosphate
美国药典/FDA物质标识码
415SHH325A
维基百科标题
Adenosine_monophosphate

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
MP Biomedicals
02100080 external link 加入购物车 请登录

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 1.2265724  质子受体 10 
质子供体 LogD (pH = 5.5) -4.75149 
LogD (pH = 7.4) -5.746467  Log P -5.1915946 
摩尔折射率 74.0685 cm3 极化性 29.089455 Å3
极化表面积 186.07 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -3.13  LOG S -2.02 
溶解度 3.31e+00 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
Soluble expand 查看数据来源
外观
white crystalline powder expand 查看数据来源
熔点
178 - 185°C expand 查看数据来源
200°C expand 查看数据来源
沸点
798.5°C expand 查看数据来源
密度
2.32 g/mL expand 查看数据来源
疏水性(logP)
-3.1 expand 查看数据来源
pKa
0.9, 3.8, 6.1 expand 查看数据来源
保存条件
0°C expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
纯度
99-100% expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank MP Biomedicals MP Biomedicals Wikipedia Wikipedia
DrugBank -  DB00131 external link
Item Information
Drug Groups approved; nutraceutical
Description Adenylic acid. Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. [PubChem]
Indication For nutritional supplementation, also for treating dietary shortage or imbalance
Pharmacology Adenosine monophosphate, also known as 5'-adenylic acid and abbreviated AMP, is a nucleotide that is found in RNA. It is an ester of phosphoric acid with the nucleoside adenosine. AMP consists of the phosphate group, the pentose sugar ribose, and the nucleobase adenine. AMP is used as a dietary supplement to boost immune activity, and is also used as a substitute sweetener to aid in the maintenance of a low-calorie diet.
Affected Organisms
Humans and other mammals
External Links
Wikipedia
MP Biomedicals -  02100080 external link
From Yeast
Free Acid
Crystalline
Purity: 99-100%

参考文献

参考文献

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专利

专利

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互联网资源

互联网资源

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