sodium 1-[5-({[({[5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1λ5-pyridin-1-ylium

• ChemBase编号: 155081
• 分子式: C21H27N7NaO17P3
• 平均质量: 765.386833
• 单一同位素质量: 765.05739661
• SMILES: c1nc(c2c(n1)n(cn2)C1C(C(C(O1)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)[n+]1cc(ccc1)C(=O)N)O)O)O)OP(=O)(O)O)N.[Na+]
• Canonical SMILES: OC1C(O)C(OC1[n+]1cccc(c1)C(=O)N)COP(=O)(OP(=O)(OCC1OC(C(C1O)OP(=O)(O)O)n1cnc2c1ncnc2N)[O-])[O-].[Na+]
• InChI: InChI=1S/C21H28N7O17P3.Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);/q;+1/p-1
• InChIKey: JNUMDLCHLVUHFS-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium 1-[5-({[({[5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-3-carbamoyl-1λ^5-pyridin-1-ylium
• IUPAC传统名: sodium 1-(5-{[({[5-(6-aminopurin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methyl phosphonato}oxyphosphinato)oxy]methyl}-3,4-dihydroxyoxolan-2-yl)-3-carbamoyl-1λ^5-pyridin-1-ylium
• 别名: 三磷酸吡啶核苷酸 钠盐 水合物; Triphosphopyridine nucleotide sodium salt hydrate; β-Nicotinamide adenine dinucleotide phosphate sodium salt hydrate

登记号

• CAS号: 698999-85-8
• EC号: 214-664-6
• MDL号: MFCD00150480
• PubChem SID: 24889814; 24897665; 24897624; 162249219; 24897427
• PubChem CID: 53442183

理论计算性质

• Acid pKa: 0.65526783
• 质子受体: 17
• 质子供体: 7
• LogD (pH = 5.5): -13.820263
• LogD (pH = 7.4): -15.519069
• Log P: -10.446874
• 摩尔折射率: 150.6264 cm^3
• 极化性: 60.66334 Å^3
• 极化表面积: 370.45 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL; H2O: soluble50 mg/mL, clear, faintly yellow
• 外观: powder; white to yellow powder
• 熔点: 175-178 °C (dec.)(lit.)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 1; 3
• 危险公开号: 20/21/22-36-68/20/21/22; 36
• 安全公开号: 26; 26-36/37
• GHS危险品标识: GHS07; GHS08
• GHS警示词: Warning
• GHS危险声明: H302-H319-H371; H319
• GHS警示性声明: P260-P305 + P351 + P338; P305 + P351 + P338
• 保存温度: -20°C

产品相关信息

• 纯度: ≥95% (enzymatic); ≥95% (HPLC); ≥95% (spectrophotometric assay); ≥95.0% (HPLC); ≥98% (enzymatic); ≥98% (HPLC); ≥98% (spectrophotometric assay)
• 适用性: in accordance for glucose-6-phosphate dehydrogenase test; suitable for cell culture
• 杂质: ≤8% water
• 产品质量级别: PREMIUM
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C21H27N7NaO17P3 · xH2O

详细说明

Sigma Aldrich - N3139

Analysis Note
Meets or exceeds NRC specifications and is comparable to any commercial preparation available.
Biochem/physiol Actions
电子受体
Other Notes
这是 NADP 的常见形式。不要与 3′-NADP 或 α-NADP 混淆。
包装
根据固体质量包装。

Sigma Aldrich - N3886

Biochem/physiol Actions
电子受体
Other Notes
这是 NADP 的常见形式。不要与 3′-NADP 或 α-NADP 混淆。
包装
根据固体质量包装。
Application
β-Nicotinamide adenine dinucleotide 2′-phosphate (NADP+) and β-Nicotinamide adenine dinucleotide 2′-phosphate, reduced (NADPH) comprise a coenzyme redox pair (NADP+:NADPH) involved in a wide range of enzyme catalyzed oxidation reduction reactions. The NADP+/NADPH redox pair facilitates electron transfer in anabolic reactions such as lipid and cholesterol biosynthesis and fatty acyl chain elongation. The NADP+/NADPH redox pair is used in a variety of antioxidation mechanism where it protects agains reactive oxidation species accumulation. NADPH is generated in vivio by the pentose phosphate pathway (PPP).

Sigma Aldrich - N0505

Biochem/physiol Actions
电子受体
Other Notes
这是 NADP 的常见形式。不要与 3′-NADP 或 α-NADP 混淆。
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. N0505.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. N0505.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
包装
1, 5 g in poly bottle
100, 500 mg in poly bottle
根据固体质量包装。

Sigma Aldrich - 93208

Biochem/physiol Actions
电子受体
Other Notes
这是 NADP 的常见形式。不要与 3′-NADP 或 α-NADP 混淆。
包装
根据固体质量包装。
Application
Nicotinamide adenine dinucleotide phosphate (NADP) and NADPH form a redox pair. NADP/NADPH is a coenzyme that supports redox reactions via the transport of electrons in a vast array of applications, especially anaerobic reactions such as lipid and nucleic acid synthesis. NADP/NADPH is a coenzyme couple in various cytochrome P450 systems and oxidase/reductase reaction systems, such as the thioredoxin reductase/thioredoxin system.