AC1O5IRS
methyl (Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoate
Also Known As: 5-Heptenoic acid, 7-(3,5-dihydroxy-2-(2-(2-((3-trifluoromethylphenoxy)methyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, methyl ester, (1R-(1-alpha(Z),2-beta(E),3-alpha,5-alpha))-|5-HEPTENOIC ACID, 7-(3,5-DIHYDROXY-2-(2-(2-((3-TRIFLUOROMETHYLPHENOXY)METHYL)-1,|methyl (Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoate
| Molecular Formula | C26H33F3O7 |
|---|---|
| Molecular Weight | 514.21783 g/mol |
| LogP | 4.031 |
| Topological Polar Surface Area | 94.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 514.21783 |
| Monoisotopic Mass | 514.21783 |
| Heavy Atoms | 36 |
| Complexity | 909.044 |
Chemical Identifiers
| CAS Number | 66176-12-3 |
|---|---|
| SMILES | COC(=O)CCC/C=C\CC1[C@H](C(CC1O)O)/C=C/C2(OCCO2)COC3=CC=CC(=C3)C(F)(F)F |
Product Overview
AC1O5IRS (CAS 66176-12-3), with molecular formula C26H33F3O7 and molecular weight 514.21783 g/mol. IUPAC: methyl (Z)-7-[(2R)-3,5-dihydroxy-2-[(E)-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoate.
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