CAS 96315-11-6|Tetramethyl 5-formyl-5'-methylbis-(2-aminophenoxy-methylene)-N,N,N',N'-tetraacetate|methyl 2-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy}ethoxy)-4-methylphenyl](2-metho...

基本信息

化学结构

分子式

C₂₈H₃₄N₂O₁₁

分子量

574.57636

精确质量

574.21625992

电荷

InChI

InChI=1S/C28H34N2O11/c1-19-6-8-21(29(14-25(32)36-2)15-26(33)37-3)23(12-19)40-10-11-41-24-13-20(18-31)7-9-22(24)30(16-27(34)38-4)17-28(35)39-5/h6-9,12-13,18H,10-11,14-17H2,1-5H3

InChIKey

GKTVRWOCZLYLJV-UHFFFAOYSA-N

Canonic Smiles

COC(=O)CN(c1ccc(cc1OCCOc1cc(C=O)ccc1N(CC(=O)OC)CC(=O)OC)C)CC(=O)OC

Isomeric Smiles

N(c1c(cc(cc1)C)OCCOc1c(ccc(c1)C=O)N(CC(=O)OC)CC(=O)OC)(CC(=O)OC)CC(=O)OC

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.397145

LogD (pH = 7.4)

2.397145

Log P

2.397145

摩尔折射率

146.9706

极化性

56.236156

极化表面积

147.21

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

Tetramethyl 5-formyl-5'-methylbis-(2-aminophenoxy-methylene)-N,N,N',N'-tetraacetateBAPTA-TMFMTetramethyl 5-Formyl-5'-Methyl Bis-(2-Aminophenoxymethylene)-N,N,N',N'-TetraacetateBAPTA-TMFMN-[2-[2-[2-[Bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy]ethoxy]-4-methylphenyl]-N-(2-methoxy-2-oxoethyl)-glycine Methyl Ester

IUPAC标准名

methyl 2-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]-5-formylphenoxy}ethoxy)-4-methylphenyl](2-methoxy-2-oxoethyl)amino}acetate methyl 2-{[2-(2-{2-[bis(2-methoxy-2-oxoethyl)amino]-5-methylphenoxy}ethoxy)-4-formylphenyl](2-methoxy-2-oxoethyl)amino}acetate

IUPAC传统名

名称和标识

数据登录号

PubChem SID

PubChem CID

CAS号

MDL号

数据登录号