{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid sodium

• ChemBase编号: 133462
• 分子式: C9H14N3NaO7P
• 平均质量: 330.186891
• 单一同位素质量: 330.04670571
• SMILES: c1cn(c(=O)nc1N)C1CC(C(O1)COP(=O)(O)O)O.[Na]
• Canonical SMILES: OC1CC(OC1COP(=O)(O)O)n1ccc(nc1=O)N.[Na]
• InChI: InChI=1S/C9H14N3O7P.Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17;/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)
• InChIKey: YJOLXYLJTPJOHF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid sodium
• IUPAC传统名: deoxycytidylate sodium
• 别名: 胞嘧啶脱氧核苷酸; 2′-脱氧胞苷 5′-单磷酸 钠盐; dCMP; 2′-Deoxycytidine 5′-monophosphate sodium salt

登记号

• CAS号: 13085-50-2
• EC号: 235-995-2
• MDL号: MFCD00069774
• PubChem SID: 162227739; 24894142
• PubChem CID: 16219276

理论计算性质

• Acid pKa: 1.2800924
• 质子受体: 8
• 质子供体: 4
• LogD (pH = 5.5): -4.4607296
• LogD (pH = 7.4): -5.543908
• Log P: -2.284406
• 摩尔折射率: 63.907 cm^3
• 极化性: 25.347824 Å^3
• 极化表面积: 154.91 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

• 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: ≥98%
• 级别: Sigma Grade

详细说明

Sigma Aldrich - D7625

Application
2′-Deoxycytidine 5-monophosphate (dCMP) is used as a substrate of uridine monophosphate (UMP)/cytidine monophosphate (CMP) kinase (EC 2.7.4.4) to form dCDP which upon phosphorylation to dCTP supports DNA and RNA biosynthesis.