AC1MI6JT
2-hydroxypropane-1,2,3-tricarboxylic acid;(1-propan-2-ylpyrrolidin-3-yl) 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate
Also Known As: Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate|2-Hydroxypropane-1,2,3-tricarboxylic acid--1-(propan-2-yl)pyrrolidin-3-yl 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate (1/1)|2-hydroxypropane-1,2,3-tricarboxylic acid; (1-propan-2-ylpyrrolidin-3-yl) 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate|Benzeneacetic acid, 5-fluoro-2-methoxy-alpha-(1-methylpropyl)-, 1-(1-methylethyl)-3-pyrrolidinyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)
| Molecular Formula | C26H38FNO10 |
|---|---|
| Molecular Weight | 543.248 g/mol |
| LogP | 2.7414 |
| Topological Polar Surface Area | 170.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 543.248 |
| Monoisotopic Mass | 543.248 |
| Heavy Atoms | 38 |
| Complexity | 966.7756 |
Chemical Identifiers
| CAS Number | 42729-60-2 |
|---|---|
| SMILES | CCC(C)C(C1=C(C=CC(=C1)F)OC)C(=O)OC2CCN(C2)C(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
Product Overview
AC1MI6JT (CAS 42729-60-2), with molecular formula C26H38FNO10 and molecular weight 543.248 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;(1-propan-2-ylpyrrolidin-3-yl) 2-(5-fluoro-2-methoxyphenyl)-3-methylpentanoate.
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