CAS 218278-58-1|1-(tert-butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazine-2-carboxylic acid|Piperazine-2-carboxylic acid, N1-BOC protected, N4-FMOC protected 97%|1-(tert-butoxycarbonyl)...

基本信息

化学结构

分子式

C₂₅H₂₈N₂O₆

分子量

452.49962

精确质量

452.19473663

电荷

InChI

InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-12-26(14-21(27)22(28)29)23(30)32-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,28,29)

InChIKey

ZVHNNCSUTNWKFC-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C1CN(CCN1C(=O)OC(C)(C)C)C(=O)OCC1c2ccccc2c2c1cccc2

Isomeric Smiles

N1(C(=O)OC(C)(C)C)CCN(CC1C(=O)O)C(=O)OCC1c2c(cccc2)c2c1cccc2

计算属性

JChem

Acid pKa

3.7410321

质子受体

质子供体

LogD (pH = 5.5)

1.900287

LogD (pH = 7.4)

0.370976

Log P

3.6594498

摩尔折射率

120.4757

极化性

48.07006

极化表面积

96.38

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC传统名

1-(tert-butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazine-2-carboxylic acid

别名

Piperazine-2-carboxylic acid, N1-BOC protected, N4-FMOC protected 97%1-(tert-butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-piperazinecarboxylic acid1-(tert-Butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazine-2-carboxylic acidPiperazine-1,2,4-tricarboxylic acid 1-tert-butyl ester 4-(9H-fluoren-9-ylmethyl) ester

IUPAC标准名

1-[(tert-butoxy)carbonyl]-4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazine-2-carboxylic acid 1-[(tert-butoxy)carbonyl]-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazine-2-carboxylic acid

名称和标识

数据登录号

MDL号

CAS号

PubChem SID

PubChem CID

数据登录号

化合物性质