D-p-hydroxyphenylglycine

HCID 89853CAS 22818-40-2

기본 정보

표준 SMILES: N[C@@H](C(=O)O)c1ccc(O)cc1
InChIKey: LJCWONGJFPCTTL-SSDOTTSWSA-N
분자식: C8H9NO3
평균 분자량: 167.16 g/mol
단동위원소 질량: 167.05824315

개요

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.

이름 및 식별자

우선 이름: D-p-hydroxyphenylglycine
IUPAC: (2R)-2-amino-2-(4-hydroxyphenyl)acetic acid

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -2.1
극성 표면적: 83.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 164

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

화학 및 산업

약리 정보

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.