disodium [(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydrogen phosphonatooxy)phosphonate

• ChemBase编号: 155887
• 分子式: C10H13N5Na2O11P2
• 平均质量: 487.164182
• 单一同位素质量: 486.98821808
• SMILES: c1nc2c(=O)[nH]c(nc2n1[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+]
• Canonical SMILES: O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O.[Na+].[Na+]
• InChI: InChI=1S/C10H15N5O11P2.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1
• InChIKey: LTZCGDIGAHOTKN-LGVAUZIVSA-L

名称和登记号

名称

• IUPAC标准名: disodium [(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydrogen phosphonatooxy)phosphonate
• IUPAC传统名: disodium [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphonatooxyphosphonate
• 别名: 5′-GDP-Na2; Guanosine 5′-diphosphate disodium salt

登记号

• CAS号: 7415-69-2
• EC号: 231-026-2
• MDL号: MFCD00084665
• PubChem SID: 162250025; 24873516
• PubChem CID: 16213722

理论计算性质

• Acid pKa: 1.9690444
• 质子受体: 12
• 质子供体: 5
• LogD (pH = 5.5): -7.630379
• LogD (pH = 7.4): -8.285877
• Log P: -3.463729
• 摩尔折射率: 84.1235 cm^3
• 极化性: 33.482544 Å^3
• 极化表面积: 253.94 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: H2O: soluble50 mg/mL, clear, colorless

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: -20°C

产品相关信息

• 纯度: ≥90% (HPLC)
• 运输包装: dry ice
• Empirical Formula (Hill Notation): C10H13N5Na2O11P2

详细说明

Sigma Aldrich - 51060

Application
Guanosine 5′-diphosphate (GDP) is used as a substrate of pyruvate kinase to produce GTP in support of RNA biosyntheis. GDP is used to study the kinetics and characteristics of GTPases such as those associated with G-protein coupled receptors (GPCR). GDP is also used to study cell signaling processes mediate by guanine nucleotide exchange factors.