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130-40-5(anhydrous) 分子结构
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sodium 10-[(2S,3S,4R)-5-(hydrogen phosphonatooxy)-2,3,4-trihydroxypentyl]-7,8-dimethyl-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione hydrate

ChemBase编号:130811
分子式:C17H22N4NaO10P
平均质量:496.340911
单一同位素质量:496.09712384
SMILES和InChIs

SMILES:
Cc1cc2c(cc1C)n(c1nc(=O)[nH]c(=O)c1n2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)[O-])O)O)O.O.[Na+]
Canonical SMILES:
O=c1[nH]c(=O)c2c(n1)n(C[C@@H]([C@@H]([C@@H](COP(=O)(O)[O-])O)O)O)c1c(n2)cc(c(c1)C)C.O.[Na+]
InChI:
InChI=1S/C17H21N4O9P.Na.H2O/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);;1H2/q;+1;/p-1/t11-,12+,14-;;/m0../s1
InChIKey:
BHRVCJBIICJWTH-APQIITSESA-M

引用这个纪录

CBID:130811 http://www.chembase.cn/molecule-130811.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
sodium 10-[(2S,3S,4R)-5-(hydrogen phosphonatooxy)-2,3,4-trihydroxypentyl]-7,8-dimethyl-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione hydrate
IUPAC传统名
sodium 10-[(2S,3S,4R)-5-(hydrogen phosphonatooxy)-2,3,4-trihydroxypentyl]-7,8-dimethyl-3H-benzo[g]pteridine-2,4-dione hydrate
别名
核黄素-5′-磷酸钠 钠盐
黄素单核苷酸
核黄素磷酸钠 钠盐 水合物
核黄素5′-磷酸盐 钠盐 水合物
FMN-Na
Riboflavin 5′-monophosphate sodium salt hydrate
Riboflavin 5′-phosphate sodium salt hydrate
Flavin mononucleotide
Riboflavin 5′-phosphate sodium salt
CAS号
130-40-5(anhydrous)
EC号
204-988-6
MDL号
MFCD00150992
Beilstein号
4106529
PubChem SID
24894910
24894817
162225089
24894764
PubChem CID
23679076

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 23679076 external link

理论计算性质

理论计算性质

JChem
Acid pKa 1.5655322  质子受体 11 
质子供体 LogD (pH = 5.5) -3.4562092 
LogD (pH = 7.4) -4.8923903  Log P -1.1982645 
摩尔折射率 106.0196 cm3 极化性 39.881233 Å3
极化表面积 204.41 Å2 可自由旋转的化学键
里宾斯基五规则 false 

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: soluble0.1 g/mL, clear, orange-yellow to very deep orange-red expand 查看数据来源
外观
powder expand 查看数据来源
比旋光度
[α]20/D +37 to +42°, c = 1.5 in 5 M HCl(lit.) expand 查看数据来源
紫外吸收波长
ε1mM/445 nm 12.5 expand 查看数据来源
pH值
5.5-7.0 (0.1 g/mL in H2O) expand 查看数据来源
MSDS下载
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
2-8°C expand 查看数据来源
纯度
~85% (HPLC) expand 查看数据来源
≥70% expand 查看数据来源
≥70% (HPLC) expand 查看数据来源
73-79% (fluorimetric) expand 查看数据来源
级别
for electrophoresis expand 查看数据来源
适用性
meets USP testing specifications expand 查看数据来源
suitable for acrylamide photopolymerization expand 查看数据来源
杂质
≤0.3% Riboflavin expand 查看数据来源
≤1.5% free phosphate expand 查看数据来源
≤7% free riboflavin (HPLC) expand 查看数据来源
≤7% riboflavin 5′-adenosine diphosphate (HPLC) expand 查看数据来源
Foreign Activity
Protease, none detected expand 查看数据来源
生物来源
synthetic expand 查看数据来源
干燥失重
≤7% loss on drying expand 查看数据来源
Empirical Formula (Hill Notation)
C17H20N4NaO9P · xH2O expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  F6750 external link
Quality
Free Riboflavin: ≤6.0%Riboflavin diphosphates: ≤6.0% (as riboflavin)
Application
Riboflavin 5′-monophosphate (FMN) is used as a prosthetic group by oxidoreductase (one and two electron transfer) enzymes such as NADH dehydrogenases, nitric oxide synthases, and nitrilotriacetate monooxygenases. Riboflavin 5′-monophosphate is used as a substrate to study the specificity and kinetics of FMN phosphohydrolases. FMN is used to study molecular sensing based gene regulation by riboswitches.
Sigma Aldrich -  F2253 external link
Biochem/physiol Actions
在益生菌(ATCC 菌株 7469)的生长中具有生物学活性。
Application
Riboflavin 5′-monophosphate (FMN) is used as a prosthetic group by oxidoreductase (one and two electron transfer) enzymes such as NADH dehydrogenase, nitric oxide synthase, and nitrilotriacetate monooxygenase. Riboflavin 5′-monophosphate is used as a substrate to study the specificity and kinetics of FMN phosphohydrolases and to study molecular sensing based gene regulation by riboswitches.
Sigma Aldrich -  F1392 external link
Application
FMN is suitable as a photopolymerization reagent in PAGE by forming free radicals in aqueous solution in the presence of light. FMN photodecomposes to leucoflavin. No free radicals are formed in the absence of oxygen, but traces of oxygen allow for leucoflavin to reoxidize with free-radical generation. The catalysts, TEMED or DMAPN, are commonly added to speed up the free radical formation. Free radicals will cause acrylamide and bis-acrylamide to polymerize to form a gel matrix which can be used for sieving macromolecules. FMN is commonly used in the stacking gel for non-denaturing PAGE because native proteins can be sensitive to persulfate ions from ammonium persulfate. Another advantage of FMN over ammonium persulfate is that it will not start polymerizing until the gel is illuminated.
Sigma Aldrich -  83810 external link
Other Notes
Chemical and enzymatic properties of FMN1; Review: Flavin Coenzymes: At the crossroads of biological redox chemistry2; Riboflavin-mediated photopolymerization of acrylamide investigated by capillary zone electrophoresis3,4

参考文献

参考文献

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专利

专利

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