(3S,3'S)-Zeaxanthin
Basic information
- CAS
72002-36-9- 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-ANDPMPNWSA-N- Molecular formula
- C40H56O2
- Average molar mass
- 568.9 g/mol
- Monoisotopic mass
- 568.42803102
Overview
(3S,3'S,all-E)-Zeaxanthin is a xanthophyll.
Names & identifiers
- Preferred name
- (3S,3'S)-Zeaxanthin
- IUPAC
- (1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-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
- English name
- Zeaxanthin Impurity 6
- Molecular formula
- C40H56O2
- Molecular weight
- 568.89
Names & synonyms
Zeaxanthin, (3S,3'S)-72002-36-9(3S,3'S)-ZeaxanthinKRI00MMQ7YDTXSID001315686RefChem:1050312DTXCID001745580(3S,3'S,all-E)-ZeaxanthinUNII-KRI00MMQ7Y(3S,3'S)-beta,beta-Carotene-3,3'-diol(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-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(1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
Show more names
β,β-Carotene-3,3'-diol, (3S,3'S)-
Zeaxanthin Impurity 6(3S,3a(2)S)-ZeaxanthinSCHEMBL10452932CHEBI:176102LMPR01070645(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-olQ27282392
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,190
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
Melting Point209 - 209.5 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 711.4 · 711.4±55.0 °C(Predicted)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- pka
- 14.6 · 14.60±0.70(Predicted)
- FDA UNII
- 0 MMQ7Y · KRI00MMQ7Y
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Additional notes
DefinitionChEBI: (3S,3'S,all-E)-Zeaxanthin is a xanthophyll.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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