CAS 24198-97-8|CAS 480-18-2|(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one|(2s,3s)-trans-dihydroquercetin|(2s,3s)-Trans-Dihydroquercetin|DIHYDROQUERCETIN|Catechin...

基本信息

化学结构

分子式

C₁₅H₁₂O₇

分子量

304.25158

精确质量

304.05830272

电荷

InChI

InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1

InChIKey

CXQWRCVTCMQVQX-LSDHHAIUSA-N

Canonic Smiles

Oc1cc2O[C@H](c3ccc(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O

Isomeric Smiles

O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1

计算属性

JChem

极化表面积

127.45

可自由旋转的化学键

里宾斯基五规则

true

Acid pKa

7.742827

质子受体

质子供体

LogD (pH = 5.5)

1.813926

LogD (pH = 7.4)

1.6518341

Log P

1.8163843

摩尔折射率

74.6089

极化性

28.610525

ALOGPS 2.1

溶解度

1.16e+00 g/l

Log P

1.07

LOG S

-2.42

数据来源

名称和标识

IUPAC标准名

(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

别名

(2s,3s)-Trans-DihydroquercetinDIHYDROQUERCETINCatechin hydrateDihydroquercetin(+)-Dihydroquercetintrans-DihydroquercetinTaxifolin(+)-TaxifolinTaxifoliolDistylin(2R,3R)-二氢槲皮素Taxifolin(2R,3R)-Dihydroquercetin(2R,3R)-3,3′,4′,5,7-Pentahydroxyflavanone花旗松素(2R,3R)-3,3′,4′,5,7-五羟基黄烷酮(+)-trans Taxifolin(+)-(2R,3R)-DihydroquercetinDiquertinLavitol(2R,3R)-(+)-TaxifolinTaxifolinLariksin(2R,3R)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-1-benzopyran-4-one(2R,3R)-3,3',4',5,7-Pentahydroxyflavanone3,5,7,3',4'-Pentahydroxyflavanone3,3’,4’,5,7-Pentahydroxyflavanone(+/-)-trans Taxifolin3,3',4',5,7-Pentahydroxyflavanone

IUPAC传统名

(2s,3s)-trans-dihydroquercetin (+)-taxifolin

名称和标识

数据登录号

CAS号

24198-97-8480-18-2

CHEMBL

PubChem CID

439533

维基百科标题

Taxifolin

PubChem SID