CAS 10083-24-6|5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol|4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol|PICEATANNOL|piceatannol|4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2...

基本信息

化学结构

分子式

C₁₄H₁₂O₄

分子量

244.24268

精确质量

244.07355886

电荷

0

InChI

InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+

InChIKey

CDRPUGZCRXZLFL-OWOJBTEDSA-N

Canonic Smiles

Oc1cc(/C=C/c2ccc(c(c2)O)O)cc(c1)O

Isomeric Smiles

c1(cc(cc(c1)/C=C/c1cc(c(cc1)O)O)O)O

计算属性

JChem

LogD (pH = 7.4)

3.06

LogD (pH = 5.5)

3.10

Log P

3.10

可自由旋转的化学键

2

质子供体

4

质子受体

4

里宾斯基五规则

true

Acid pKa

8.41

极化表面积

80.92

极化性

25.46

摩尔折射率

69.44

LOG S

-2.72

数据来源

学术数据

产品目录

数据来源

名称和标识

IUPAC标准名

5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol

别名

PICEATANNOL3,3′,4,5′-Tetrahydroxy-trans-stilbene(E)-4-[2-(3,5Dihydroxyphenyl)ethenyl]1,2-benzenediolPiceatannol3',4',3,5-tetrahydroxy-trans-stilbeneAstringinin(E)-3,3',4,5'-Stilbenetetroltrans-Piceatannol4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]-1,2-benzenedioltrans-3,3',4,5'-TetrahydroxystilbeneAstringenin(E)-PiceatannolPiceatannol3,3',4,5'-Tetrahydroxystilbenepiceatannol4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,2-diol3-hydroxyresveratol3,3',4'5-Tetrahydroxystilbene3,5,3',4'-tetrahydroxystilbenePiceatannolpiceatannol

IUPAC传统名

piceatannol 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol

名称和标识

数据登录号

PubChem CID

667639

PubChem SID

994448701609694402427862014717702

维基百科标题

Piceatannol

Chemspider ID

581006