(3R,3'R)-β,β-Carotin-3,3'-diol

Zeaxanthin

HCID 5280899CAS 144-68-3

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Grundinformationen

Standard-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
Summenformel: C40H56O2
Durchschnittliche Molmasse: 568,9 g/mol
Monoisotopische Masse: 568,42803103

Überblick

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.

Namen und Bezeichner

Bevorzugter Name: 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
Lokaler Name: (3R,3'R)-β,β-Carotin-3,3'-diol
Englischer Name: Zeaxanthin
Summenformel: C40H56O2
Molmasse: 568.87

Namen und Synonyme

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

Weitere Namen anzeigen

ZEAXANTHINE.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)

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 10,9
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 10
Schwere Atome: 42
Formalladung: 0
Komplexität: 1.190

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

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

Melting Point215.5 °C

Physical DescriptionSolid

Physikochemische Eigenschaften

Schmelzpunkt: 203 · 203-2050C
Siedepunkt: 572.66 °C · 572.66°C (rough estimate)
Dichte: 0.9944 · 0.9944 (rough estimate)
Brechungsindex: 1.525 · 1.5250 (estimate)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 14.6 · 14.60±0.70(Predicted)
Aggregatzustand: Solid
Farbe: Light Orange to Very Dark Red
Geruch (Odor): Special Odor
Stabilität: Light Sensitive, Temperature Sensitive
Major Application: cleaning productscosmeticsfood and beveragespersonal care
Kosmetik-Inhaltsstoffe Funktionen: ANTIOXIDANT
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)
CAS Datenbank: 144 · 144-68-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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