2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-ol

• ChemBase编号: 61449
• 分子式: C6H6N4O
• 平均质量: 150.13804
• 单一同位素质量: 150.05416083
• SMILES: n1c2c(c(nc1N)O)cc[nH]2
• Canonical SMILES: Nc1nc(O)c2c(n1)[nH]cc2
• InChI: InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
• InChIKey: OLAFFPNXVJANFR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-ol
• IUPAC传统名: 2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-ol
• 别名: 2-Amino-7H-pyrrolo[2,3-d]pyrimidin-4-ol; 2-Amino-4-hydroxy-pyrrolo-[2,3-d]-pyrimidine; 7-Deazaguanine

登记号

• CAS号: 7355-55-7; 41687-92-7
• MDL号: MFCD00079103
• PubChem SID: 24893330; 162027190
• PubChem CID: 96253

理论计算性质

• Acid pKa: 12.429268
• 质子受体: 4
• 质子供体: 3
• LogD (pH = 5.5): 0.65670586
• LogD (pH = 7.4): 0.65670776
• Log P: 0.65671176
• 摩尔折射率: 40.7022 cm^3
• 极化性: 14.854075 Å^3
• 极化表面积: 87.82 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: tan crystalline

安全信息

• 保存注意事项: IRRITANT
• 德国WGK号: 3
• TSCA收录: false
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ~95%
• Empirical Formula (Hill Notation): C6H6N4O

详细说明

Sigma Aldrich - D1035

Application
Ethidium bromide efficiently intercalates into synthetic duplex DNAs with 7-deazaguanine in place of guanine, but shows none of the fluorescence enhancement usually observed upon intercalation. 7-Deazaadenine-duplexes show about 70% of the expected fluorescence enhancement.1