D-Allothreonine

HCID 90624CAS 144-98-9

기본 정보

표준 SMILES: C[C@@H](O)[C@@H](N)C(=O)O
InChIKey: AYFVYJQAPQTCCC-PWNYCUMCSA-N
분자식: C4H9NO3
평균 분자량: 119.12 g/mol
단동위원소 질량: 119.05824315

개요

D-allothreonine is the D-enantiomer of allothreonine. It occurs as a component of peptido-lipids in certain bacteria. It has a role as a bacterial metabolite. It is a D-alpha-amino acid and an allothreonine. It is an enantiomer of a L-allothreonine. It is a tautomer of a D-allothreonine zwitterion.

이름 및 식별자

우선 이름: D-Allothreonine
IUPAC: (2R,3R)-2-amino-3-hydroxybutanoic acid

이름 및 동의어

D-AllothreonineD-allo-Threonine24830-94-2(2R,3R)-2-amino-3-hydroxybutanoic acid(R)-Allothreonine(2R,3R)-Allothreonine(R)-allo-ThreonineAllothreonine, D-EINECS 246-488-0NSC 206267BRN 1721644CHEBI:32826

이름 더 보기

DTXSID40179542NSC-206267(2R,3R)-3-HYDROXY-2-AMINOBUTANOIC ACIDRefChem:581605DTXCID00102033H-D-ALLO-THR-OHD(-)-allo-ThreonineMFCD00004526

데이터베이스 식별자

CAS: 144-98-9、24830-94-2
PubChem CID: 90624
DTXSID: DTXSID40179542
ChEMBL: CHEMBL319354
ChEBI: CHEBI:32826
UNII: 0756UWA0SA
EC Number: 205-645-3、246-488-0
Nikkaji: J1.320J

물성

구조 계산 물성

XLogP: -2.9
극성 표면적: 83.6 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 93.3

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 5% (1 of 20) of reports.

Warning

H302 (90%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.