9-(2,7-dihydroxy-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-6-yl)-6,9-dihydro-1H-purin-6-one

• ChemBase编号: 103324
• 分子式: C10H11N4O7P
• 平均质量: 330.190701
• 单一同位素质量: 330.03653534
• SMILES: OC1C2OP(=O)(O)OCC2OC1n1cnc2c1nc[nH]c2=O
• Canonical SMILES: OC1C2OP(=O)(O)OCC2OC1n1cnc2c1nc[nH]c2=O
• InChI: InChI=1S/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)
• InChIKey: DMJWGQPYNRPLGA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-(2,7-dihydroxy-2-oxo-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-6-yl)-6,9-dihydro-1H-purin-6-one
• IUPAC传统名: 9-(2,7-dihydroxy-2-oxo-tetrahydro-4H-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinin-6-yl)-1H-purin-6-one
• 别名: INOSINE-3',5'-cyclic-MONOPHOSPHATE

登记号

• CAS号: 3545-76-4
• EC号: 222-593-7
• PubChem SID: 162090360
• PubChem CID: 4287702

理论计算性质

• Acid pKa: 1.857696
• 质子受体: 7
• 质子供体: 3
• LogD (pH = 5.5): -4.0603757
• LogD (pH = 7.4): -4.092755
• Log P: -1.8943104
• 摩尔折射率: 68.4257 cm^3
• 极化性: 26.56526 Å^3
• 极化表面积: 144.5 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: 0°C

产品相关信息

• 纯度: ~98%

详细说明

MP Biomedicals - 02151326

Free Acid
White crystalline powder
Purity: ~98%