1-[2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-1,3,5,2λ5-furo[3,4-d][1,3,2λ5]dioxaphosphol-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione sodium

• ChemBase编号: 131052
• 分子式: C9H11N2NaO8P
• 平均质量: 329.155771
• 单一同位素质量: 329.01507123
• SMILES: c1cn(c(=O)[nH]c1=O)C1C2C(C(O1)CO)OP(=O)(O2)O.[Na]
• Canonical SMILES: OCC1OC(C2C1OP(=O)(O2)O)n1ccc(=O)[nH]c1=O.[Na]
• InChI: InChI=1S/C9H11N2O8P.Na/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14;/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)
• InChIKey: ZVUXLXMQXFCQAL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-1,3,5,2λ^5-furo[3,4-d][1,3,2λ^5]dioxaphosphol-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione sodium
• IUPAC传统名: 1-[2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-1,3,5,2λ^5-furo[3,4-d][1,3,2λ^5]dioxaphosphol-4-yl]-3H-pyrimidine-2,4-dione sodium
• 别名: Uridine 2′:3′-cyclic monophosphate sodium salt

登记号

• CAS号: 15718-50-0
• EC号: 239-812-7
• PubChem SID: 162225330
• PubChem CID: 71308381

理论计算性质

• Acid pKa: 1.7621871
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): -4.000279
• LogD (pH = 7.4): -4.020572
• Log P: -1.6422703
• 摩尔折射率: 59.6595 cm^3
• 极化性: 24.319696 Å^3
• 极化表面积: 134.63 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 德国WGK号: 3

详细说明

Sigma Aldrich - U9125

Caution
Do not confuse with the common uridine 2′(3′)-monophosphate mixed isomers