FGG
(2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate
Created: | 2010-10-22 |
Last modified: | 2020-06-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 65 |
Chiral Atom Count | 0 |
Bond Count | 64 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate |
Synonyms | 2-fluoro-geranylgeranyl diphosphate |
Systematic Name (OpenEye OEToolkits) | [(2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenyl] phosphono hydrogen phosphate |
Formula | C20 H35 F O7 P2 |
Molecular Weight | 468.434 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)OP(=O)(OCC(\F)=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)O |
SMILES | CACTVS | 3.370 | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(=CCCC(=CCCC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C)C)C |
Canonical SMILES | CACTVS | 3.370 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC\C(C)=C(F)\CO[P](O)(=O)O[P](O)(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.0 | CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O)(O)OP(=O)(O)O)\F)/C)/C)/C)C |
InChI | InChI | 1.03 | InChI=1S/C20H35FO7P2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(21)15-27-30(25,26)28-29(22,23)24/h9,11,13H,6-8,10,12,14-15H2,1-5H3,(H,25,26)(H2,22,23,24)/b17-11+,18-13+,20-19- |
InChIKey | InChI | 1.03 | NZHGLLPGXYKTDW-HAQLZSGTSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49817361 |