sodium (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}oxolan-3-ol

• ChemBase编号: 134089
• 分子式: C10H15N5NaO12P3
• 平均质量: 513.163453
• 单一同位素质量: 512.98277512
• SMILES: c1nc(c2c(n1)n(cn2)[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)[O-])O)N.[Na+]
• Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)[O-])O)O)n1cnc2c1ncnc2N.[Na+]
• InChI: InChI=1S/C10H16N5O12P3.Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19;/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19);/q;+1/p-1/t5-,6+,7+;/m0./s1
• InChIKey: YJWCICGGRLOGEH-VWZUFWLJSA-M

名称和登记号

名称

• IUPAC标准名: sodium (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}oxolan-3-ol
• IUPAC传统名: sodium (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[({[hydrogen phosphonatooxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy)methyl]oxolan-3-ol
• 别名: 2′-脱氧腺苷-5′-三磷酸 钠盐 溶液; dATP; 2′-Deoxyadenosine 5′-triphosphate sodium salt solution

登记号

• CAS号: 1927-31-7
• EC号: 217-662-3
• PubChem SID: 24893898; 162228366
• PubChem CID: 23679070

理论计算性质

• Acid pKa: 0.89524853
• 质子受体: 13
• 质子供体: 5
• LogD (pH = 5.5): -8.931732
• LogD (pH = 7.4): -9.569203
• Log P: -5.0976624
• 摩尔折射率: 93.1819 cm^3
• 极化性: 37.79044 Å^3
• 极化表面积: 261.73 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• pH值: 7

安全信息

• RTECS编号: AU7358800
• 德国WGK号: 3
• 保存温度: -20°C

产品相关信息

• 纯度: ≥99%
• 浓度: 100 mM
• Foreign Activity: DNase, RNase, none detected
• 运输包装: dry ice

详细说明

Sigma Aldrich - D4788

Application
2′-Deoxyadenosine 5′-triphosphate sodium salt solution is used in DNA sysnthesis reactions such as PCR, DNA sequencing and molecular cloning techniques.
Biochem/physiol Actions
dATP is used in cells for synthesis of DNA by DNA polymerases.