1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase编号: 153577
• 分子式: C10H14N2O6
• 平均质量: 258.22796
• 单一同位素质量: 258.08518618
• SMILES: CO[C@@H]1[C@@H]([C@H](O[C@H]1n1ccc(=O)[nH]c1=O)CO)O
• Canonical SMILES: CO[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(=O)[nH]c1=O)CO
• InChI: InChI=1S/C10H14N2O6/c1-17-8-7(15)5(4-13)18-9(8)12-3-2-6(14)11-10(12)16/h2-3,5,7-9,13,15H,4H2,1H3,(H,11,14,16)/t5-,7-,8-,9-/m1/s1
• InChIKey: SXUXMRMBWZCMEN-ZOQUXTDFSA-N

名称和登记号

名称

• IUPAC标准名: 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC传统名: 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-3H-pyrimidine-2,4-dione
• 别名: O2'-Methyluridine; 2'-O-Methyl Uridine; 1-((2R,3R,4R,5R)-4-Hydroxy-5-(hydroxyMethyl)-3-Methoxytetrahydrofuran-2-yl)pyriMidine-2,4(1H,3H)-dione; 2′-O-Methyluridine

登记号

• CAS号: 2140-76-3
• PubChem SID: 162247716
• PubChem CID: 102212

理论计算性质

• 摩尔折射率: 57.3168 cm^3
• 极化性: 22.769852 Å^3
• 极化表面积: 108.33 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• Acid pKa: 8.701313
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): -1.7723856
• LogD (pH = 7.4): -1.7930441
• Log P: -1.7721156

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 154-156°C

安全信息

• 保存条件: Refrigerator
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C10H14N2O6

详细说明

Toronto Research Chemicals - M338200

Uridine analog. Used for preparation of antiviral nucleoside derivatives as inhibitors of subgenomic hepatitis C virus RNA replication.

参考文献

• Gratzner, H., et al.: Science, 218, 474 (1982)
• Jarvis, T., et al.: J. Biol. Chem., 271, 29107 (1982)
• Pavco, P., et al.: Clin. Cancer Res., 6, 2094 (1982)