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102783-56-2 分子结构
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dilithium(1+) ion 1-hydroxy-3-(phosphonatooxy)propan-2-one

ChemBase编号:133333
分子式:C3H5Li2O6P
平均质量:181.923961
单一同位素质量:182.01438361
SMILES和InChIs

SMILES:
[Li+].[Li+].C(C(=O)COP(=O)([O-])[O-])O
Canonical SMILES:
OCC(=O)COP(=O)([O-])[O-].[Li+].[Li+]
InChI:
InChI=1S/C3H7O6P.2Li/c4-1-3(5)2-9-10(6,7)8;;/h4H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2
InChIKey:
QWIKESRFRWLYIA-UHFFFAOYSA-L

引用这个纪录

CBID:133333 http://www.chembase.cn/molecule-133333.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
dilithium(1+) ion 1-hydroxy-3-(phosphonatooxy)propan-2-one
IUPAC传统名
dilithium(1+) ion dihydroxyacetone phosphate
别名
1,3-Dihydroxy-2-propanone 1-phosphate dilithium salt
1-Hydroxy-3-(phosphonooxy)-2-propanone dilithium salt
DHAP
Dihydroxyacetone phosphate dilithium salt
Dihydroxyacetone phosphate lithium salt
CAS号
102783-56-2
MDL号
MFCD00077731
Beilstein号
1708891
PubChem SID
24894082
162227610
PubChem CID
16219272

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
PubChem 16219272 external link

理论计算性质

理论计算性质

JChem
Acid pKa 1.1902796  质子受体
质子供体 LogD (pH = 5.5) -4.098508 
LogD (pH = 7.4) -5.2087917  Log P -1.6517823 
摩尔折射率 28.2287 cm3 极化性 12.113257 Å3
极化表面积 109.72 Å2 可自由旋转的化学键
里宾斯基五规则 true 

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
H2O: soluble10 mg/mL, clear, faintly yellow 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
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
-20°C expand 查看数据来源
纯度
~95% (enzymatic) expand 查看数据来源
≥93% (enzymatic) expand 查看数据来源
≥95.0% (TLC) expand 查看数据来源
杂质
~0.2 mol % D-glyceraldehyde 3-phosphate expand 查看数据来源
≤0.2% D-glyceraldehyde-3-phosphate expand 查看数据来源
≤2% solvent expand 查看数据来源
痕量阴离子
phosphate (PO43-): ~5 mol % expand 查看数据来源
Empirical Formula (Hill Notation)
C3H5Li2O6P expand 查看数据来源
C3H7O6P · xLi+ expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  D7137 external link
Caution
Unlike the dimethyl ketal, does not require hydrolysis prior to use as a substrate.
包装
10 mg in autosmp vl
Preparation Note
Enzymatically prepared.
Application
Dihydroxyacetone phosphate (DHAP) is used in studies on the effects of fructose metabolism and processes such as glycation on health. DHAP is used in studies involving the metabolism of three-carbon sugar pools and their roles in physiological and physical processes.
Biochem/physiol Actions
Dihydroxyacetone phosphate (DHAP) is a metabolic intermediate involved in many pathways, including glycolysis, gluconeogenesis, glycerol metabolism, phosphatidic acid synthesis, fat metabolism, and the Calvin cycle.
Sigma Aldrich -  37442 external link
Analysis Note
may contain up to 2-mol-equivalents water
Sigma Aldrich -  37440 external link
Other Notes
Substrate for the assay of triosephosphate isomerase1
Biochem/physiol Actions
Dihydroxyacetone phosphate (DHAP) is a metabolic intermediate involved in many pathways, including glycolysis, gluconeogenesis, glycerol metabolism, phosphatidic acid synthesis, fat metabolism, and the Calvin cycle.

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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