bis(7H-purin-6-amine) sulfuric acid dihydrate

• ChemBase编号: 102111
• 分子式: C10H16N10O6S
• 平均质量: 404.36244
• 单一同位素质量: 404.09749928
• SMILES: O.O.Nc1ncnc2c1[nH]cn2.Nc1ncnc2c1[nH]cn2.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.Nc1ncnc2c1[nH]cn2.Nc1ncnc2c1[nH]cn2.O.O
• InChI: InChI=1S/2C5H5N5.H2O4S.2H2O/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4;;/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4);2*1H2
• InChIKey: MKPCNMXYTMQZBE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(7H-purin-6-amine) sulfuric acid dihydrate
• IUPAC传统名: sulfuric acid bis(vitamin B4) dihydrate
• 别名: 6-Aminopurine Sulfate Dihydrate; ADENINE HEMISULFATE DIHYDRATE; 6-Aminopurine

登记号

• CAS号: 321-30-2; 6509-19-9
• EC号: 206-286-5
• PubChem SID: 162088684
• PubChem CID: 44134512

理论计算性质

• Acid pKa: 10.293441
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -0.79091805
• LogD (pH = 7.4): -0.57753104
• Log P: -0.57347023
• 摩尔折射率: 38.2195 cm^3
• 极化性: 13.361899 Å^3
• 极化表面积: 80.48 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 260°C

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: AU7140000

产品相关信息

• 纯度: 99%

详细说明

MP Biomedicals - 02194607

Cell Culture Reagent
Purity: 99%
Hemisulfate
Dihydrate

MP Biomedicals - 02100195

Purity: 99%
Crystalline
The CAS number 321-30-2 is used for anhydrous compounds.