제아잔틴

Zeaxanthin

HCID 5280899CAS 144-68-3

기본 정보

표준 SMILES: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1
InChIKey: JKQXZKUSFCKOGQ-QAYBQHTQSA-N
분자식: C40H56O2
평균 분자량: 568.9 g/mol
단동위원소 질량: 568.42803103

개요

Zeaxanthin is a carotenol. It has a role as an antioxidant, a cofactor and a bacterial metabolite. It derives from a hydride of a beta-carotene.

이름 및 식별자

우선 이름: Zeaxanthin
IUPAC: (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
현지명: 제아잔틴
영어명: Zeaxanthin
분자식: C40H56O2
분자량: 568.87

이름 및 동의어

Zeaxanthin144-68-3Anchovyxanthinall-trans-ZeaxanthinZeaxantholXanthophyll 3LuteinoftaOptisharpZeagold(3R,3'R)-beta,beta-Carotene-3,3'-diol3R,3'R-Zeaxanthinbeta-carotene-3,3'-diol

이름 더 보기

제아잔틴ZEAXANTHINE.beta.,.beta.-Carotene-3,3-diol, (3R,3R)-MAIZE YELLOWZEAXANTHIN(P)

3R,3'R ZeaxanthinDTXSID5046807CV0IB81ORO(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-olINS NO.161H(I)INS-161H(I)E 161HE-161H(I)

데이터베이스 식별자

CAS: 144-68-3
PubChem CID: 5280899
DTXSID: DTXSID5046807
ChEMBL: CHEMBL2359248
ChEBI: CHEBI:27547
UNII: CV0IB81ORO
EC Number: 205-636-4
Nikkaji: J5.830K

물성

구조 계산 물성

XLogP: 10.9
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 10
무거운 원자 수: 42
형식 전하: 0
복잡도: 1,190

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]

Melting Point215.5 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 203 · 203-2050C
끓는 점: 572.66 °C · 572.66°C (rough estimate)
밀도: 0.9944 · 0.9944 (rough estimate)
굴절률: 1.525 · 1.5250 (estimate)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 14.6 · 14.60±0.70(Predicted)
물리적 상태: Solid
색상: 연한 주황색에서 매우 어두운 빨간색까지
냄새: 특별한 냄새
안정성: 감광성, 온도 민감성
주요 응용: 청소용품화장품음식 및 음료개인 위생 관리
화장품 원료 기능: 항산화제
InChIKey: JKQXZKUSFCKOGQ-SLJWWQRENA-N
SMILES: C1(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(C)(C)C[C@H](O)CC=2C)C(C)(C)C[C@H](O)CC=1C |&1:28,37,r|
LogP: 14.95 · 14.950 (est)

화학적 성질

Yellow Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 95% (113 of 119) of all reports.

Not Classified

Aggregated GHS information provided per 119 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

Regulation (EC) No 178/2002 (amended)

.beta.,.beta.-Carotene-3,3'-diol, (3R,3'R)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesNot Classified