9H-嘌呤-2,6,8-三醇
[CAS# 7000-30-8]

基本信息

• 产品名称: 9H-嘌呤-2,6,8-三醇
• 英文名: 9H-Purine-2,6,8-triol
• 别名: 1,3,7-trihydropurine-2,6,8-trione; 1H-purine-2,6,8(3H,7H,9H)-trione; 6-hydroxy-1H-purine-2,8(7H,9H)-dione
• 分子式: C₅H₄N₄O₃
• 分子量: 168.11
• CAS 登录号: 7000-30-8
• 分子行输入简码 SMILES: C12=C(NC(=N1)O)N=C(N=C2O)O
• 国际化学标识码 InChI: 1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
• 国际化学标识检索码 InChIKey: LEHOTFFKMJEONL-UHFFFAOYSA-N

物理化学性质

• 密度: 1.89 （实验值）
• 熔点: 300°C （实验值）
• 沸点: 863.0±75.0°C at 760 mmHg （计算值）
• 闪点: 475.7±37.1°C （计算值）

安全数据

• 安全说明: CAUTION: May irritate eyes, skin, and respiratory tract

参考文献

• (1): Zeming WuThese authors contributed equally to this work., Min Li, Chunxia Zhao, Jia Zhou, Yuwei Chang, Xiang Li, Peng Gao, Xin Lu, Yousheng Li and Guowang Xu. Urinary metabonomics study in a rat model in response to protein-energy malnutrition by using gas chromatography-mass spectrometry and liquid chromatography-mass spectrometry, Mol. Biosyst., 2010, 6, 2157.