(2R,3R,6R,7R)-7-[(5-氨基-6-羟基-6-氧代己酰基)氨基]-3-羟基-3-甲基-8-氧代-5-硫杂-1-氮杂双环[4.2.0]辛烷-2-羧酸
[CAS# 79495-65-1]

基本信息

• 产品名称: (2R,3R,6R,7R)-7-[(5-氨基-6-羟基-6-氧代己酰基)氨基]-3-羟基-3-甲基-8-氧代-5-硫杂-1-氮杂双环[4.2.0]辛烷-2-羧酸
• 英文名: (2R,3R,6R,7R)-7-[(5-Amino-6-Hydroxy-6-Oxohexanoyl)Amino]-3-Hydroxy-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Octane-2-Carboxylic Acid
• 别名: (2R,3R,6R,7R)-7-[(5-Amino-6-Hydroxy-6-Oxo-Hexanoyl)Amino]-3-Hydroxy-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Octane-2-Carboxylic Acid; (2R,3R,6R,7R)-7-[(5-Amino-6-Hydroxy-1,6-Dioxohexyl)Amino]-3-Hydroxy-3-Methyl-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Octane-2-Carboxylic Acid; (2R,3R,6R,7R)-7-[(5-Amino-6-Hydroxy-6-Keto-Hexanoyl)Amino]-3-Hydroxy-8-Keto-3-Methyl-5-Thia-1-Azabicyclo[4.2.0]Octane-2-Carboxylic Acid
• 分子式: C₁₄H₂₁N₃O₇S
• 分子量: 375.40
• CAS 登录号: 79495-65-1
• 分子行输入简码 SMILES: [C@H]1(N2[C@H](SC[C@]1(C)O)[C@@H](C2=O)NC(CCCC(C(=O)O)N)=O)C(=O)O
• 国际化学标识码 InChI: 1S/C14H21N3O7S/c1-14(24)5-25-11-8(10(19)17(11)9(14)13(22)23)16-7(18)4-2-3-6(15)12(20)21/h6,8-9,11,24H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/t6?,8-,9+,11-,14+/m1/s1
• 国际化学标识检索码 InChIKey: POTUNBCUZGHTHK-ZMLOIDLRSA-N

物理化学性质

• 密度: 1.586g/cm³ （计算值）
• 沸点: 807.013°C at 760 mmHg （计算值）
• 闪点: 441.865°C （计算值）