trisodium ({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate

• ChemBase编号: 102339
• 分子式: C9H12N2Na3O15P3
• 平均质量: 550.086573
• 单一同位素质量: 549.91436043
• SMILES: [Na+].[Na+].[Na+].OC1C(O)C(OC1COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])n1ccc(=O)[nH]c1=O
• Canonical SMILES: OC1C(COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])[O-])OC(C1O)n1ccc(=O)[nH]c1=O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/C9H15N2O15P3.3Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;;/q;3*+1/p-3
• InChIKey: MMJGIWFJVDOPJF-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: trisodium ({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)(hydrogen phosphonatooxy)phosphinate
• IUPAC传统名: tripotassium {[5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy(hydrogen phosphonatooxy)phosphinate
• 别名: UTP Trisodium Salt; URIDINE-5'-TRIPHOSPHATE TRISODIUM SALT; UTP Disodium; UTP-Na

登记号

• CAS号: 19817-92-6
• EC号: 243-347-5
• PubChem SID: 162089568
• PubChem CID: 6099529

理论计算性质

• Acid pKa: 0.8952817
• 质子受体: 12
• 质子供体: 4
• LogD (pH = 5.5): -10.07489
• LogD (pH = 7.4): -10.80498
• Log P: -3.382405
• 摩尔折射率: 81.8192 cm^3
• 极化性: 34.772614 Å^3
• 极化表面积: 267.41 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: > 140°C (dec.)

安全信息

• 保存条件: 0°C; -20°C

产品相关信息

• 纯度: 90-95%; 97-99%

详细说明

MP Biomedicals - 02101217

Trisodium Salt
White amorphous powder
Purity: 97-99%

MP Biomedicals - 02194766

Trisodium Salt
Cell Culture Reagent
White amorphous powder
Purity: 97-99%

MP Biomedicals - 02191230

(UTP-Na) Purity: 90-95% Trisodium Salt