[2-(decyloxy)-2-oxoethyl][2-({3-[(2-{[2-(decyloxy)-2-oxoethyl]dimethylaminio}ethoxy)methyl]oxetan-3-yl}methoxy)ethyl]dimethylazanium dichloride|[2-(decyloxy)-2-oxoethyl][2-({3-[(2-{[2-(decyloxy)-2-o...

基本信息

化学结构

分子式

C₃₇H₇₄Cl₂N₂O₇

分子量

729.89866

精确质量

728.48730808

电荷

InChI

InChI=1S/C37H74N2O7.2ClH/c1-7-9-11-13-15-17-19-21-25-45-35(40)29-38(3,4)23-27-42-31-37(33-44-34-37)32-43-28-24-39(5,6)30-36(41)46-26-22-20-18-16-14-12-10-8-2;;/h7-34H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

WQDQIUVXBGJGHA-UHFFFAOYSA-L

Canonic Smiles

CCCCCCCCCCOC(=O)C[N+](CCOCC1(COCC[N+](CC(=O)OCCCCCCCCCC)(C)C)COC1)(C)C.[Cl-].[Cl-]

Isomeric Smiles

[N+](CCOCC1(COC1)COCC[N+](CC(=O)OCCCCCCCCCC)(C)C)(CC(=O)OCCCCCCCCCC)(C)C.[Cl-].[Cl-]

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-1.3476374

LogD (pH = 7.4)

-1.3476374

Log P

-1.3476374

摩尔折射率

210.252

极化性

74.681274

极化表面积

80.29

可自由旋转的化学键

里宾斯基五规则

false

数据来源

学术数据

产品目录

数据来源

名称和标识

IUPAC传统名

[2-(decyloxy)-2-oxoethyl][2-({3-[(2-{[2-(decyloxy)-2-oxoethyl]dimethylaminio}ethoxy)methyl]oxetan-3-yl}methoxy)ethyl]dimethylazanium dichloride

IUPAC标准名

[2-(decyloxy)-2-oxoethyl][2-({3-[(2-{[2-(decyloxy)-2-oxoethyl]dimethylazaniumyl}ethoxy)methyl]oxetan-3-yl}methoxy)ethyl]dimethylazanium dichloride

别名

[2-(decyloxy)-2-oxoethyl][2-({3-[(2-{1-[2-(decyloxy)-2-oxoethyl]-1,1-dimeth ylammonio}ethoxy)methyl]oxetan-3-yl}methoxy)ethyl]dimethylammonium dichlori de

名称和标识

数据登录号

MDL号

MFCD00526265

PubChem SID

162069183

PubChem CID

2778051

数据登录号

化合物性质

暂无数据

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