Alloisoleucine, DL-

HCID 99288CAS 1509-34-8

기본 정보

표준 SMILES: CC[C@@H](C)[C@H](N)C(=O)O
InChIKey: AGPKZVBTJJNPAG-UHNVWZDZSA-N
분자식: C6H13NO2
평균 분자량: 131.17 g/mol
단동위원소 질량: 131.09462866

개요

L-alloisoleucine is an optically active form of alloisoleucine having L-(2S,3R)-configuration. It has a role as a human metabolite. It is an alloisoleucine and a non-proteinogenic L-alpha-amino acid. It is an enantiomer of a D-alloisoleucine. It is a tautomer of a L-alloisoleucine zwitterion.

이름 및 식별자

우선 이름: Alloisoleucine, DL-
IUPAC: (2S,3R)-2-amino-3-methylpentanoic acid

이름 및 동의어

DL-Allo-isoleucineAlloisoleucine, DL-05T3WT3PJ1DL-AlloisoleucineEINECS 221-464-2RefChem:554752L-Alloisoleucine1509-34-8L-allo-IsoleucineAlloisoleucine(2S,3R)-2-amino-3-methylpentanoic acidAllo-Isoleucine

이름 더 보기

H-Allo-Ile-OHallo-L-IsoleucineAlloisoleucine, L-(3R)-LS-isoleucine3107-04-8L(+)-AlloisoleucineMFCD00066446L-Norvaline, 3-methyl-, threo-

데이터베이스 식별자

CAS: 1509-34-8、3107-04-8、443-79-8
PubChem CID: 99288
DTXSID: DTXSID501019679
ChEMBL: CHEMBL56053
ChEBI: CHEBI:43433
UNII: 05T3WT3PJ1、6RNR8XN7S2
EC Number: 207-139-8、216-142-3、221-464-2
Nikkaji: J1.239D

물성

구조 계산 물성

XLogP: -1.7
극성 표면적: 63.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 103

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

LogP-1.70

Solubility34.4 mg/mL at 25 °C

Melting Point60 - 64 °C

Physical DescriptionSolid

Collision Cross Section · 2건

134.45 Å² [M-H]- [CCS Type: DT; Method: stepped-field]

133.4 Å² [M-H]-

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.

Not Classified

Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: DL-Alloisoleucine

Other Safety InformationIMAP assessments - DL-Alloisoleucine: Environment tier I assessment

Hazard Classes and CategoriesNot Classified

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

연결된 노트

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