3,6,9,19,22,25-六(羧甲基)-14-((4-异硫氰酸基苯基)甲基)-11,17-二氧代-3,6,9,12,16,19,22,25-八氮杂二十七烷二酸
[CAS# 134439-56-8]

基本信息

• 产品名称: 3,6,9,19,22,25-六(羧甲基)-14-((4-异硫氰酸基苯基)甲基)-11,17-二氧代-3,6,9,12,16,19,22,25-八氮杂二十七烷二酸
• 英文名: 3,6,9,19,22,25-Hexakis(carboxymethyl)-14-((4-isothiocyanatophenyl)methyl)-11,17-dioxo-3,6,9,12,16,19,22,25-octaazaheptacosanedioic acid
• 别名: 2-[2-(Bis(Carboxymethyl)Amino)Ethyl-[2-[[2-[[2-[[[2-[2-[2-(Bis(Carboxymethyl)Amino)Ethyl-(Carboxymethyl)Amino]Ethyl-(Carboxymethyl)Amino]Acetyl]Amino]Methyl]-3-(4-Isothiocyanatophenyl)Propyl]Amino]-2-Oxo-Ethyl]-(Carboxymethyl)Amino]Ethyl]Amino]Acetic Acid; 2-[2-(Bis(Carboxymethyl)Amino)Ethyl-[2-[[2-[[2-[[[2-[2-[2-(Bis(Carboxymethyl)Amino)Ethyl-(Carboxymethyl)Amino]Ethyl-(Carboxymethyl)Amino]-1-Oxoethyl]Amino]Methyl]-3-(4-Isothiocyanatophenyl)Propyl]Amino]-2-Oxoethyl]-(Carboxymethyl)Amino]Ethyl]Amino]Acetic Acid; 2-[2-(Bis(Carboxymethyl)Amino)Ethyl-[2-[[2-[[2-[[[2-[2-[2-(Bis(Carboxymethyl)Amino)Ethyl-(Carboxymethyl)Amino]Ethyl-(Carboxymethyl)Amino]Acetyl]Amino]Methyl]-3-(4-Isothiocyanatophenyl)Propyl]Amino]-2-Keto-Ethyl]-(Carboxymethyl)Amino]Ethyl]Amino]Acetic Acid
• 分子式: C₃₉H₅₇N₉O₁₈S
• 分子量: 971.99
• CAS 登录号: 134439-56-8
• 分子行输入简码 SMILES: S=C=NC1=CC=C(CC(CNC(CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)=O)CNC(CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)=O)C=C1
• 国际化学标识码 InChI: 1S/C39H57N9O18S/c49-30(16-45(20-34(55)56)9-5-43(18-32(51)52)7-11-47(22-36(59)60)23-37(61)62)40-14-28(13-27-1-3-29(4-2-27)42-26-67)15-41-31(50)17-46(21-35(57)58)10-6-44(19-33(53)54)8-12-48(24-38(63)64)25-39(65)66/h1-4,28H,5-25H2,(H,40,49)(H,41,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)
• 国际化学标识检索码 InChIKey: OWFPZFPOOSUIIA-UHFFFAOYSA-N

物理化学性质

• 密度: 1.456g/cm³ （计算值）
• 沸点: 1275.405°C at 760 mmHg （计算值）
• 闪点: 725.139°C （计算值）