trisodium ({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate

• ChemBase编号: 132433
• 分子式: C10H13N5Na3O13P3
• 平均质量: 573.126513
• 单一同位素质量: 572.94157823
• SMILES: c1nc2c(=O)[nH]c(nc2n1[C@H]1C[C@@H]([C@H](O1)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)N.[Na+].[Na+].[Na+]
• Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])n1cnc2c1nc(N)[nH]c2=O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/C10H16N5O13P3.3Na/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20;;;/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17);;;/q;3*+1/p-3/t4-,5+,6+;;;/m0.../s1
• InChIKey: IWGGLKOTEOCWQP-BIHLCPNHSA-K

名称和登记号

名称

• IUPAC标准名: trisodium ({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate
• IUPAC传统名: trisodium dGTP trianion
• 别名: 2′-脱氧鸟苷 5′-三磷酸 三钠盐; dGTP-Na3; 2′-Deoxyguanosine 5′-triphosphate trisodium salt solution

登记号

• CAS号: 93919-41-6
• EC号: 300-026-5
• MDL号: MFCD00080337
• PubChem SID: 24893919; 162226710
• PubChem CID: 16219240

理论计算性质

• Acid pKa: 0.81591356
• 质子受体: 13
• 质子供体: 4
• LogD (pH = 5.5): -9.423954
• LogD (pH = 7.4): -10.183291
• Log P: -2.7602963
• 摩尔折射率: 92.364 cm^3
• 极化性: 37.431458 Å^3
• 极化表面积: 283.07 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: ≥99%
• 浓度: 10 mM in H2O; 100 mM (pH 7)
• Foreign Activity: DNase, RNase, NICKase, none detected; DNase, RNase, none detected
• 运输包装: dry ice

详细说明

Sigma Aldrich - D5038

Application
2′-Deoxyguanosine 5′-triphosphate trisodium salt is utilized for methods such as DNA sequencing, PCR and other DNA polymerase based DNA synthesis and repair techniques.
Biochem/physiol Actions
2′-Deoxyguanosine 5′-triphosphate is used in vivo synthesis for the synthesis of DNA via DNA polymerases.

Sigma Aldrich - D7170

Application
2′-Deoxyguanosine 5′-triphosphate trisodium salt is utilized for methods such as DNA sequencing, PCR and other DNA polymerase based DNA synthesis and repair techniques.
Biochem/physiol Actions
2′-Deoxyguanosine 5′-triphosphate is used in vivo synthesis for the synthesis of DNA via DNA polymerases.