disodium [5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

• ChemBase编号: 102228
• 分子式: C10H12N5Na2O8P
• 平均质量: 407.184281
• 单一同位素质量: 407.02188756
• SMILES: [Na+].[Na+].Nc1nc2c(ncn2C2OC(COP(=O)([O-])[O-])C(O)C2O)c(=O)[nH]1
• Canonical SMILES: OC1C(O)C(OC1n1cnc2c1nc(N)[nH]c2=O)COP(=O)([O-])[O-].[Na+].[Na+]
• InChI: InChI=1S/C10H14N5O8P.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2
• InChIKey: PVBRXXAAPNGWGE-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium [5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
• IUPAC传统名: dipotassium [5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate; disodium [5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
• 别名: 5'-GMP-Na2; 5'-Guanylic acid disodium salt hexahydrate; GUANOSINE-5'-MONOPHOSPHATE DISODIUM SALT HEXAHYDRATE; Guanosine 5'-(disodiuM phosphate)

登记号

• CAS号: 5550-12-9
• EC号: 226-914-1
• PubChem SID: 162088705
• PubChem CID: 12898231

理论计算性质

• Acid pKa: 1.0546672
• 质子受体: 10
• 质子供体: 4
• LogD (pH = 5.5): -5.2467523
• LogD (pH = 7.4): -6.360609
• Log P: -2.9361746
• 摩尔折射率: 73.2506 cm^3
• 极化性: 28.688873 Å^3
• 极化表面积: 207.41 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: 0°C
• RTECS编号: MF9290000

产品相关信息

• 纯度: 97%; 98-100%

详细说明

MP Biomedicals - 02100702

Disodium Salt
White crystalline powder
Purity: 98-100%
We believethis is the best GMP available anywhere. Many dealers offer off-white powders with small amounts of contaminants and residual salt. Our material shows only one spot by both TLC and electrophoresis and is also evaluated by UVabsorption.