sodium hydrate [(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate

• ChemBase编号: 155099
• 分子式: C10H15N5NaO8P
• 平均质量: 387.218331
• 单一同位素质量: 387.05559338
• SMILES: c1nc2c(=O)[nH]c(nc2n1[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)[O-])O)N.O.[Na+]
• Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)[O-])n1cnc2c1nc(N)[nH]c2=O.O.[Na+]
• InChI: InChI=1S/C10H14N5O7P.Na.H2O/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20;;/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17);;1H2/q;+1;/p-1/t4-,5+,6+;;/m0../s1
• InChIKey: UVKXYXSKMTUDML-FVALZTRZSA-M

名称和登记号

名称

• IUPAC标准名: sodium hydrate [(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
• IUPAC传统名: sodium hydrate [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
• 别名: 5′-Deoxyguanylic acid; dGMP; 2′-Deoxyguanosine 5′-monophosphate sodium salt hydrate

登记号

• EC号: 251-517-5
• MDL号: MFCD00150780
• PubChem SID: 24894297; 162249237
• PubChem CID: 23679074

理论计算性质

• Acid pKa: 1.0639256
• 质子受体: 9
• 质子供体: 4
• LogD (pH = 5.5): -4.344177
• LogD (pH = 7.4): -5.453583
• Log P: -2.0384293
• 摩尔折射率: 72.8616 cm^3
• 极化性: 28.080368 Å^3
• 极化表面积: 184.35 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
• 保存温度: -20°C

产品相关信息

• 纯度: ≥99% (HPLC)
• Empirical Formula (Hill Notation): C10H14N5O7P · xNa+ · yH2O

详细说明

Sigma Aldrich - D9500

Application
2′-Deoxyguanosine 5′-monophosphate (dGMP) is used as a substrate of guanylate kinase(s) (EC 2.7.4.8) to form dGDP which upon phosphorylation to dGTP supports DNA biosynthesis. dGMP is use to study physiochemical characteristics of guanine based molecules.