Account 2,3-Bis(palmitoyloxy)propyl (2-(2-((1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl)-4-((1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl)pyridin-1-ium-1-yl)ethyl) phosphate
- Catalog No. :
- ACSFES985
- CAS No. :
- 863180-05-6
- Molecular Formula :
- C77H124NO8P
- Molecular Weight :
- 1222.81
IUPAC Name:2,3-bis(palmitoyloxy)propyl (2-(2-((1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl)-4-((1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl)pyridin-1-ium-1-yl)ethyl) phosphate
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Product Information
| Product Name | 2,3-Bis(palmitoyloxy)propyl (2-(2-((1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl)-4-((1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl)pyridin-1-ium-1-yl)ethyl) phosphate |
|---|---|
| IUPAC Name | 2,3-bis(palmitoyloxy)propyl (2-(2-((1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl)-4-((1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl)pyridin-1-ium-1-yl)ethyl) phosphate |
| MDL No. | MFCD31563403 |
| Molecular Formula | C77H124NO8P |
| Molecular Weight | 1222.81 |
| SMILES | O=P(OCC(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)([O-])OCC[N+]1=CC=C(/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C=C1/C=C(C)/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C |
| InChI Key | ZVFLDVACRJJJLS-IESNROCXSA-N |
| Synonym | 2-[(1E,3E,5E,7E)-2,6-DiMethyl-8-(2,6,6-triMethyl-1-cyclohexen-1-yl)-1,3,5,7-octatetraen-1-yl]-1-[4-hydroxy-4-oxido-10-oxo-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacos-1-yl]-4-[(1E,3E,5E)-4-Methyl-6-(2,6,6-triMethyl-1-cyclohexen-1-yl)-1,3,5;A2-PE;2,3-di(hexadecanoyloxy)propyl 2-[2-[(1E,3E,5E,7E)-2,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-1,3,5,7-tetraenyl]-4-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]pyridin-1-ium-1-yl]ethyl phosphate |
| CAS No. | 863180-05-6 |
Synthetic Route by SureRoute
2. ACSFES985 Molecular Building Block Synthetic Route
2-((1E,3E,5E,7E)-2,6-Dimethyl-8-(2,6,6-trimethylcyclohex-1-en-1-yl)octa-1,3,5,7-tetraen-1-yl)-1-(2-hydroxyethyl)-4-((1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl)pyridin-1-ium chloride
Pyridinium bisretinoid A2E