[({[5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid sodium

• ChemBase编号: 133403
• 分子式: C10H15N5NaO10P2
• 平均质量: 450.190892
• 单一同位素质量: 450.01918425
• SMILES: c1nc2c(n1C1CC(C(O1)COP(=O)(O)OP(=O)(O)O)O)[nH]c(nc2=O)N.[Na]
• Canonical SMILES: OC1CC(OC1COP(=O)(OP(=O)(O)O)O)n1cnc2c1[nH]c(N)nc2=O.[Na]
• InChI: InChI=1S/C10H15N5O10P2.Na/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20;/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)
• InChIKey: PSKKWCOCUAFUKZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [({[5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid sodium
• IUPAC传统名: deoxyguanosine diphosphate sodium
• 别名: dGDP; 2′-Deoxyguanosine 5′-diphosphate sodium salt

登记号

• CAS号: 102783-74-4
• MDL号: MFCD00057075
• PubChem SID: 162227680; 24894274
• PubChem CID: 16219294

理论计算性质

• 质子供体: 6
• LogD (pH = 5.5): -6.2376804
• LogD (pH = 7.4): -6.962516
• Log P: -2.8331108
• 摩尔折射率: 84.4228 cm^3
• 极化性: 33.160004 Å^3
• 极化表面积: 228.05 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false
• Acid pKa: 1.7121128
• 质子受体: 12

分子性质

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

产品相关信息

• 纯度: ≥90% (HPLC)

详细说明

Sigma Aldrich - D9250

Application
2′-Deoxyguanosine 5′-diphosphate (dGDP) is used as a substrate of dGDP (nucleoside diphosphate) kinase (2.7.4.6) or pyruvate kinase to produce dGTP in support of DNA biosynthesis. dGDP is used as a substrate to study the kinetics of glycoprotein (gp) 1.7 expressed by bacteriophage T7.