D-Isoleucine

HCID 76551CAS 319-78-8

기본 정보

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

개요

D-isoleucine is the D-enantiomer of isoleucine. It has a role as a Saccharomyces cerevisiae metabolite and a bacterial metabolite. It is a D-alpha-amino acid and an isoleucine. It is a conjugate base of a D-isoleucinium. It is a conjugate acid of a D-isoleucinate. It is an enantiomer of a L-isoleucine. It is a tautomer of a D-isoleucine zwitterion.

이름 및 식별자

우선 이름: D-Isoleucine
IUPAC: (2R,3R)-2-amino-3-methylpentanoic acid

이름 및 동의어

D-IsoleucineIsoleucine, D-(R)-Isoleucine(2R,3R)-2-Amino-3-methylvaleric acidUNII-V87GJA0G54V87GJA0G54DTXSID1046346EINECS 206-269-2BRN 1721793ISOLEUCINE, (-)-CHEBI:277304-04-00-02774 (Beilstein Handbook Reference)

이름 더 보기

(R)-2-Amino-(S)-3-methylvaleric acid(R)IsoleucineRefChem:130638DTXCID701477645(2R, 3R)2Amino3methylpentanoic acid19764-31-9319-78-8(2R,3R)-2-amino-3-methylpentanoic acid

데이터베이스 식별자

CAS: 319-78-8
PubChem CID: 76551
DTXSID: DTXSID1046346
ChEBI: CHEBI:27730
UNII: V87GJA0G54
EC Number: 206-269-2
Nikkaji: J9.187A

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

Chemical Classes · 2건

Biological Agents -> Amino Acids and Derivatives

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Flavoring AgentsEU Flavoring substances

Solubility · 2건

Soluble in water; Insoluble in ether

Insoluble (in ethanol)

Vapor Pressure0.00000001 [mmHg]

Physical Description · 3건

Solid; [Sigma-Aldrich MSDS]

Glistening solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]

White crystalline powder; odourless

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

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)

유해성 정보

Regulatory Information · 3건

Chemical: DL-Isoleucine

Regulation (EC) No 1831/2003 (amended)

Isoleucine: Does not have an individual approval but may be used under an appropriate group standard

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

Hazards Summary · 2건

Causes altered sleep time (including change in righting reflex), dyspnea, and decreased body temperature in intraperitoneal lethal-dose studies of rats (LD50 = 6,822 mg/kg); [RTECS]

Safe when used as a flavoring agent in food; [JECFA] May cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and Categories · 2건

Not Classified

Skin Irrit. 2 (100%)