N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid
tributan-2-yl 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propane-1,1,3-tricarboxylate
Also Known As: Hfb-gla|N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid|gamma-Carboxyglutamic acid n-heptafluorobutyryl isobutyl ester|tributan-2-yl 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propane-1,1,3-tricarboxylate|1,1,3-Propanetricarboxylic acid, 3-((2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino)-, tris(2-methylpropyl) ester
| Molecular Formula | C22H32F7NO7 |
|---|---|
| Molecular Weight | 555.2067 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 555.2067 |
| Monoisotopic Mass | 555.2067 |
| Heavy Atoms | 37 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 95654-14-1 |
|---|---|
| SMILES | CCC(C)OC(=O)C(CC(C(=O)OC(C)CC)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(=O)OC(C)CC |
| InChIKey | KYUCASQEHSSEQO-UHFFFAOYSA-N |
Product Overview
N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid (CAS 95654-14-1), with molecular formula C22H32F7NO7 and molecular weight 555.2067 g/mol. IUPAC: tributan-2-yl 3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propane-1,1,3-tricarboxylate.
N-Heptafluorobutyryl isobutyl ester of gamma-carboxyglutamic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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