D-p-hydroxyphenylglycine

HCID 89853CAS 22818-40-2

基本情報

標準SMILES: N[C@@H](C(=O)O)c1ccc(O)cc1
InChIKey: LJCWONGJFPCTTL-SSDOTTSWSA-N
分子式: C8H9NO3
平均分子量: 167.16 g/mol
単同位体質量: 167.05824315

概要

D-4-hydroxyphenylglycine is the D-enantiomer of 4-hydroxyphenylglycine. A non-proteinogenic amino acid found in Herpetosiphon aurantiacus. It is an enantiomer of a L-4-hydroxyphenylglycine. It is a tautomer of a D-4-hydroxyphenylglycine zwitterion.

名称と識別子

優先名称: D-p-hydroxyphenylglycine
IUPAC: (2R)-2-amino-2-(4-hydroxyphenyl)acetic acid

名称と別名

22818-40-2D-4-Hydroxyphenylglycine4-Hydroxy-D-phenylglycine(2R)-2-amino-2-(4-hydroxyphenyl)acetic acidD-(-)-4-HydroxyphenylglycineD-P-HYDROXYPHENYLGLYCINED-N-(4-Hydroxyphenyl)glycine(R)-2-(4-HYDROXYPHENYL)GLYCINE4-Hydroxyphenylglycine, D-(-)-(R)-alpha-Amino-4-hydroxybenzeneacetic acid(2R)-amino(4-hydroxyphenyl)acetic acidPCM9OIX717

名称をさらに表示

P-hydroxy-(R)-phenylglycineD-(-)-p-HydroxyphenylglycineCHEBI:15695(R)-(4-HYDROXYPHENYL)GLYCINEBenzeneacetic acid, alpha-amino-4-hydroxy-, (alphaR)-D-(-)-amino(4-hydroxyphenyl)acetic acidD-2-amino-2-(p-hydroxyphenyl)acetic acidD-(-)-2-(P-HYDROXYPHENYL)GLYCINE

データベース識別子

CAS: 22818-40-2
PubChem CID: 89853
DTXSID: DTXSID401014840
ChEBI: CHEBI:15695
UNII: PCM9OIX717
EC Number: 245-247-7
Nikkaji: J62.816F

物性

構造計算による物性

XLogP: -2.1
極性表面積: 83.6 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: 2
重原子数: 12
形式電荷: 0
複雑度: 164

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 4.1% (2 of 49) of reports.

Warning

H315 (93.9%): 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)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10628

Benzeneacetic acid, .alpha.-amino-4-hydroxy-, (.alpha.R)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (93.9%)

化学と産業

薬理情報

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.