tetrasodium (2R,3R,4R,5R)-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl phosphate (2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphate

• ChemBase编号: 179402
• 分子式: C18H22N4Na4O18P2
• 平均质量: 736.289882
• 单一同位素质量: 735.99951027
• SMILES: n1([C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)([O-])[O-])ccc(=O)[nH]c1=O.n1([C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])O)ccc(=O)[nH]c1=O.[Na+].[Na+].[Na+].[Na+]
• Canonical SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)([O-])[O-])O)n1ccc(=O)[nH]c1=O.OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)([O-])[O-])n1ccc(=O)[nH]c1=O.[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/2C9H13N2O9P.4Na/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15;12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15;;;;/h2*1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18);;;;/q;;4*+1/p-4/t2*4-,6-,7-,8-;;;;/m11..../s1
• InChIKey: ZWEIKCWBRXOCJB-CCMOYPJMSA-J

名称和登记号

名称

• IUPAC标准名: tetrasodium (2R,3R,4R,5R)-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl phosphate (2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl phosphate
• IUPAC传统名: tetrasodium (2R,3R,4R,5R)-2-(2,4-dioxo-3H-pyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl phosphate uridine 3'-monophosphate
• 别名: Uridylic Acid Disodium Salt; (2’/3’)-UMP Na; Disodium (2’/3’)-UMP; Uridine Monophosphate Disodium Salt (2'- and 3'- mixture)

登记号

• PubChem SID: 164235312
• PubChem CID: 71752894

理论计算性质

• Acid pKa: 0.7244867
• 质子受体: 8
• 质子供体: 3
• LogD (pH = 5.5): -5.1036525
• LogD (pH = 7.4): -6.4961867
• Log P: -2.538808
• 摩尔折射率: 61.1951 cm^3
• 极化性: 25.270445 Å^3
• 极化表面积: 171.52 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - U830010

A mixture of 2’- and 3’-uridylic acid; used in studies of nucleotides/nucleosides-containing product for treating memory decline and cognitive dysfunction.