disodium {[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl (hydrogen phosphonatooxy)phosphonate

• ChemBase编号: 133338
• 分子式: C9H14N3Na2O13P3
• 平均质量: 511.120583
• 单一同位素质量: 510.95348598
• SMILES: c1cn(c(=O)nc1N)[C@H]1C[C@@H]([C@H](O1)COP(=O)(O)OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+]
• Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(OP(=O)(OP(=O)(O)[O-])[O-])O)n1ccc(nc1=O)N.[Na+].[Na+]
• InChI: InChI=1S/C9H16N3O13P3.2Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17;;/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17);;/q;2*+1/p-2/t5-,6+,8+;;/m0../s1
• InChIKey: ABWVCNMFYVEBIB-CDNBRZBRSA-L

名称和登记号

名称

• IUPAC标准名: disodium {[(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl (hydrogen phosphonatooxy)phosphonate
• IUPAC传统名: disodium [(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl hydrogen phosphonatooxyphosphonate
• 别名: 2′-脱氧胞苷 5′-三磷酸 二钠盐; dCTP-Na2; 2′-Deoxycytidine 5′-triphosphate disodium salt

登记号

• CAS号: 102783-51-7
• MDL号: MFCD00084683
• PubChem SID: 162227615; 24893907; 24893889
• PubChem CID: 16219251

理论计算性质

• Acid pKa: 0.9959305
• 质子受体: 12
• 质子供体: 4
• LogD (pH = 5.5): -9.540732
• LogD (pH = 7.4): -10.274312
• Log P: -3.2952244
• 摩尔折射率: 83.4094 cm^3
• 极化性: 34.69325 Å^3
• 极化表面积: 253.63 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 1; 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: ≥90.0% (HPLC); ≥95%; ≥99%
• 浓度: 100 mM (pH 7)
• Foreign Activity: DNase, RNase, none detected
• 运输包装: dry ice
• Empirical Formula (Hill Notation): C9H14N3Na2O13P3

详细说明

Sigma Aldrich - D4635

Application
2′-Deoxycytidine 5′-triphosphate (dCTP) is used to synthesize DNA via various DNA polymerases or reverse transcriptases. dCTP is used in studies of nucleotide pools, nucleotide selectivity and enzyme specificity studies, such as the preferred incorporation of dCTP by Rev1, a γ-family DNA polymerase.
2′-Deoxycytidine 5′-triphosphate disodium salt is one of the nucleoside triphosphates used for DNA polymerase driven reactions such as polymerase chain reaction, DNA sequencing and other molecular biology methods.

Sigma Aldrich - D4913

Application
2′-Deoxycytidine 5′-triphosphate disodium salt is one of the nucleoside triphosphates used for DNA polymerase driven reactions such as polymerase chain reaction, DNA sequencing and other molecular biology methods.
Biochem/physiol Actions
dCTP is utilized by cells for DNA polymerase catalyzed synthesis of DNA.

Sigma Aldrich - 31035

Other Notes
Substrate for DNA polymerase for studying the mechanism of DNA replication1
Application
2′-Deoxycytidine 5′-triphosphate disodium salt is one of the nucleoside triphosphates used for DNA polymerase driven reactions such as polymerase chain reaction, DNA sequencing and other molecular biology methods.