Neochlorogenic acid（CAS番号：906-33-2）

Neochlorogenic acid

基本情報

編集器で閲覧

CAS番号

906-33-2

分子式

C16H18O9

分子量

354.31 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

基本的な物理特性

物理状態

Powder

沸点

No data available

密度

1.6500

引火点

245.5 °C

溶解度

Methanol,Ethanol,Water,DMSO,Acetontrile

屈折率

1.69

SMILES

編集器で閲覧

C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

InChI

InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)

InChIKey

CWVRJTMFETXNAD-UHFFFAOYSA-N

LogP

-0.6459000000000004

トポロジカル極性表面積

164.75 Å²

水素結合ドナー/アクセプター

6 / 9

複雑度

534

安全情報

安全情報を表示

保管条件

-20℃

同義語と引用データ

英語

Neochlorogenic acid
5-Caffeoylquinic acid
trans-5-O-Caffeoyl-D-quinate
(1R,3R,4S,5R)-5-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,3,4-trihydroxycyclohexane-1-carboxylic acid
(E)-Neochlorogenic Acid
Cyclohexanecarboxylicacid,3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-,(1R,3R,4S,5R)-
Nochlorogenic acid
trans-5-O-Caffeoylquinic acid
(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
5-Dicaffeoylquinic acid
5-O-(trans-3,4-Dihydroxycinnamoyl)-D-quinic acid
Neochlorogenate
trans-Neochlorogenic acid
5-O-Caffeoylquinic acid
O4601UER1Z
trans-5-O-caffeoyl-D-quinic acid
Neochlorogenic-acid
1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
(1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-
(1R,3R,4S,5R)-3-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid (ACI)
Cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1R,3R,4S,5R)- (9CI)
Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1R-[1α,3α(E),4α,5β]]- (ZCI)
Neochlorogenic acid (6CI, 8CI)
(E)-Neochlorogenic acid
3-O-(E)-Caffeoylquinic acid
3-trans-O-Caffeoylquinic acid
5-(E)-Caffeoylquinic acid
5-O-Caffeolyquinic acid
(E)-Neochlorogenic acid,5-(E)-Caffeoylquinic acid,5-Caffeoylquinic acid,5-O-Caffeoylquinic acid
HY-N0722
(1R,3R,4S,5R)-3-((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid