sodium 2-amino-9-[(2R,3R,4S,5R)-5-{[({[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-7-methyl-6,9-dihydro-1H-purin-7-ium-6-olate

• ChemBase编号: 133422
• 分子式: C11H19N5NaO14P3
• 平均质量: 561.204713
• 单一同位素质量: 561.00390448
• SMILES: C[n+]1cn(c2c1C(NC(=N2)N)[O-])[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)[O-])O)O.[Na+]
• Canonical SMILES: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)[O-])O)O)O[C@H]([C@@H]1O)n1c[n+](c2c1N=C(N)NC2[O-])C.[Na+]
• InChI: InChI=1S/C11H20N5O14P3.Na/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22;/h3-4,6-7,9-10,17-18H,2H2,1H3,(H,23,24)(H,25,26)(H3,12,13,14)(H2,20,21,22);/q;+1/p-1/t4-,6-,7-,9?,10-;/m1./s1
• InChIKey: FSMRTZAMTMQMEF-OCMBMSOASA-M

名称和登记号

名称

• IUPAC标准名: sodium 2-amino-9-[(2R,3R,4S,5R)-5-{[({[(hydrogen phosphonatooxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-7-methyl-6,9-dihydro-1H-purin-7-ium-6-olate
• IUPAC传统名: sodium 2-amino-9-[(2R,3R,4S,5R)-5-[({[hydrogen phosphonatooxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-7-methyl-1,6-dihydropurin-7-ium-6-olate
• 别名: 5′-三磷酸 7-甲基鸟苷 钠盐; m7GTP; 7-Methylguanosine 5′-triphosphate sodium salt

登记号

• CAS号: 104809-18-9
• MDL号: MFCD00063376
• PubChem SID: 24897079; 162227699
• PubChem CID: 16219680

理论计算性质

• Acid pKa: 0.89477396
• 质子受体: 14
• 质子供体: 7
• LogD (pH = 5.5): -14.846643
• LogD (pH = 7.4): -14.603527
• Log P: -10.700578
• 摩尔折射率: 112.1822 cm^3
• 极化性: 40.772488 Å^3
• 极化表面积: 294.62 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

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: ≥85% (HPLC)

详细说明

Sigma Aldrich - M6133

Application
7-Methylguanosine 5′-triphosphate (m7GTP) is use to study the structures and mechanisms of eukaryotic cellular mRNA caps in the context of mRNA involvement in protein synthesis. m7GTP may be used to create affinity media for capture and purification of molecules such as eukaryotic initiation factor eIF4E.