您当前所在的位置:首页 > 产品中心 > 产品详细信息
65-86-1 分子结构
点击图片或这里关闭

2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid

ChemBase编号:2011
分子式:C5H4N2O4
平均质量:156.09626
单一同位素质量:156.01710662
SMILES和InChIs

SMILES:
OC(=O)c1cc(=O)[nH]c(=O)[nH]1
Canonical SMILES:
O=c1[nH]c(=O)[nH]c(c1)C(=O)O
InChI:
InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
InChIKey:
PXQPEWDEAKTCGB-UHFFFAOYSA-N

引用这个纪录

CBID:2011 http://www.chembase.cn/molecule-2011.html

Collapse All Expand All

名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
IUPAC传统名
orotic acid
别名
乳清酸
无水乳清酸
Orotic Acid
6-Carboxyuracil
Orodin
Oropur
Orotonin
Orotonsan
Orotic acid
2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
6-Carboxy-2,4-dihydroxypyrimidine
2,6-Dihydroxypyrimidine-4-carboxylic acid
Orotic acid
2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid
Uracil-6-carboxylic acid
1,2,3,6-Tetrahydro-2,6-dioxopyrimidine-4-carboxylic acid
Uracil-4-carboxylic acid
Orotic acid, anhydrous
CAS号
65-86-1
EC号
200-619-8
MDL号
MFCD00006027
Beilstein号
383901
PubChem SID
24897967
46508903
160965466
PubChem CID
967
Chemspider ID
942
DrugBank ID
DB02262
KEGG ID
C00295
美国药典/FDA物质标识码
61H4T033E5
维基百科标题
Orotic_acid

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 2.8272662  质子受体
质子供体 LogD (pH = 5.5) -3.8449886 
LogD (pH = 7.4) -4.736972  Log P -1.2276645 
摩尔折射率 33.2746 cm3 极化性 12.221098 Å3
极化表面积 95.5 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -0.89  LOG S -1.54 
溶解度 4.51e+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
1.82 mg/mL at 18 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] expand 查看数据来源
熔点
≥300 °C expand 查看数据来源
300-347°C expand 查看数据来源
344-347°C expand 查看数据来源
345-346°C expand 查看数据来源
疏水性(logP)
-0.83 [SANGSTER (1994)] expand 查看数据来源
保存条件
-20°C expand 查看数据来源
Room Temperature (15-30°C) expand 查看数据来源
保存注意事项
Harmful/Irritant expand 查看数据来源
RTECS编号
RM3180000 expand 查看数据来源
欧盟危险性物质标志
X expand 查看数据来源
有害性(Harmful) 有害性(Harmful) (Xn) 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
德国WGK号
3 expand 查看数据来源
危险公开号
22-36/37/38 expand 查看数据来源
22-36/38 expand 查看数据来源
安全公开号
26 expand 查看数据来源
26-36/37 expand 查看数据来源
TSCA收录
expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H302-H315-H319 expand 查看数据来源
H302-H315-H319-H335 expand 查看数据来源
GHS警示性声明
P261-P305 + P351 + P338 expand 查看数据来源
P280-P305+P351+P338-P302+P352-P321-P362-P501A expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
纯度
≥98% (titration) expand 查看数据来源
≥98.0% (T) expand 查看数据来源
97% expand 查看数据来源
级别
anhydrous 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
plant cell culture tested expand 查看数据来源
杂质
≤1% water expand 查看数据来源
Empirical Formula (Hill Notation)
C5H4N2O4 expand 查看数据来源

详细说明

详细说明

Selleck Chemicals Selleck Chemicals MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich DrugBank DrugBank
Selleck Chemicals -  S2336 external link
Research Area: Metabolic Disease
Biological Activity:
Orotic acid(6-Carboxyuracil) is a heterocyclic compound and an acid. It was once believed to be part of the vitamin B complex and was called vitamin B13, but it is now known that it is not a vitamin but is instead manufactured in the body by intestinal flora. Its salts, known as orotates, are sometimes used as mineral carriers in some dietary supplements, to increase their bioavailability.Lithium orotate is the most frequently used in this manner. [1]
MP Biomedicals -  02151790 external link
Anhydrous
Crystalline
Free Acid
MP Biomedicals -  05215251 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich -  O2750 external link
Application
Orotic acid (OA) is an intermediate in de novo pyrimidine biosynthesis that may be used to study the specificity and kinetics of orotate phosphoribosyltransferase (OPRT) which catalyzes the reversible phosphoribosyl transfer from 5′-phospho-α-d-ribose 1′-diphosphate (PRPP) to orotic acid (OA), forming pyrophosphate and orotidine 5′-monophosphate (OMP). Orotic acid is used as a starting material for the potential commercial bioproduction of uridine 5′-monophosphate (UMP) by microbes such as Corynebacterium ammoniagenes (ATCC 6872) or Saccharomyces cerevisiae. OA may be used to study the AMPK/SREBP-1 dependent cell signaling pathway and transcription regulation mechanisms that induce hepatic lipogenesis.
DrugBank -  DB02262 external link
Drug information: experimental

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • http://en.wikipedia.org/wiki/Orotic_acid
正在搜索,请耐心等待...(如果遇到网页错误或者长时间没有结果,请刷新页面[F5])

专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

百度图标百度 google iconGoogle