(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid

HCID 440177CAS 89919-57-3

基本情報

標準SMILES: O=C(O)[C@H](O)Cc1ccc(O)cc1
InChIKey: JVGVDSSUAVXRDY-MRVPVSSYSA-N
分子式: C9H10O4
平均分子量: 182.17 g/mol

概要

(R)-3-(4-hydroxyphenyl)lactic acid is a 3-(4-hydroxyphenyl)lactic acid. It is a conjugate acid of a (R)-3-(4-hydroxyphenyl)lactate.

名称と識別子

優先名称: (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
IUPAC: (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid
英語名: (R)-3-(4-Hydroxyphenyl)lactic acid
分子式: C9H10O4
分子量: 182.17

名称と別名

(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid(R)-3-(4-hydroxyphenyl)lactic acidCHEBI:16003RefChem:104984489919-57-3(R)-2-Hydroxy-3-(4-hydroxyphenyl)propanoic acidD-p-Hydroxyphenyllactic acidMFCD08685916A3VOM7SS3CBenzenepropanoic acid, a,4-dihydroxy-, (aR)-Benzenepropanoic acid, alpha,4-dihydroxy-, (alphaR)-(R)-2-Hydroxy-3-(4-hydroxyphenyl)propanoicacid

名称をさらに表示

134495Benzenepropanoic acid, α,4-dihydroxy-, (αR)-(R)-2-Hydroxy-3-(4-hydroxyphenyl)propionic acid(R)-2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid - [H90978]

(R)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acidUNII-A3VOM7SS3CSCHEMBL289562JVGVDSSUAVXRDY-MRVPVSSYSA-NAKOS006291517(R)-beta-(p-Hydroxyphenyl)lactic acidP-HYDROXYPHENYL LACTIC ACID, D-3-(4'-hydroxyphenyl)-(2r)-lactic acid

データベース識別子

CAS: 89919-57-3
PubChem CID: 440177
ChEBI: CHEBI:16003
UNII: A3VOM7SS3C
EC Number: 182-606-6
Nikkaji: J70.494F

物性

構造計算による物性

XLogP: 0.3
極性表面積: 77.8 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 172

物理化学的性質

融点: 157 · 157-158 °C
沸点: 414.439 · 414.439±30.00 °C(Press: 760.00 Torr)(predicted)
比重(密度): 1.405 · 1.405±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
貯蔵温度: RT, stored under nitrogen
酸解離定数(Pka): 3.801 · 3.801±0.10(predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315

化学と産業

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