sodium [5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

• ChemBase编号: 131216
• 分子式: C9H13N3NaO8P
• 平均质量: 345.178351
• 单一同位素质量: 345.0337953
• SMILES: c1cn(c(=O)nc1N)C1C(C(C(O1)COP(=O)(O)[O-])O)O.[Na+]
• Canonical SMILES: OC1C(O)C(OC1n1ccc(nc1=O)N)COP(=O)(O)[O-].[Na+]
• InChI: InChI=1S/C9H14N3O8P.Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18;/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18);/q;+1/p-1
• InChIKey: AJCAHIYEOVKFDR-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium [5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate; {[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid sodium
• IUPAC传统名: sodium [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate; poly C sodium
• 别名: C-5′-P; CMP; Cytidine 5′-monophosphate disodium salt

登记号

• CAS号: 6757-06-8
• EC号: 229-819-3
• MDL号: MFCD00064355
• PubChem SID: 24892293; 162225494
• PubChem CID: 23713921

理论计算性质

• Acid pKa: 1.2485515
• 质子受体: 9
• 质子供体: 4
• LogD (pH = 5.5): -5.362575
• LogD (pH = 7.4): -6.4509172
• Log P: -3.1546948
• 摩尔折射率: 64.296 cm^3
• 极化性: 25.954365 Å^3
• 极化表面积: 177.97 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: crystalline

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: 2-8°C

产品相关信息

• 纯度: ≥99%
• 级别: Sigma Grade
• 生物来源: from corn

详细说明

Sigma Aldrich - C1006

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