AC1MIBFY
1-[2-[4-[(2S,3R,4S)-2,4-diphenyloxolan-3-yl]phenoxy]ethyl]pyrrolidine;oxalic acid
Also Known As: Pyrrolidine, 1-(2-(p-(4-tetrahydro-2,4-diphenyl-3-furyl)phenoxy)ethyl)-, oxalate, (2-alpha,3-beta,4-beta)-|2,3-trans-3,4-cis-2,4-Diphenyl-3-p-(beta-pyrrolidinoethoxy)phenyltetrahydrofuran oxalate|1-[2-[4-[(2S,3R,4S)-2,4-diphenyloxolan-3-yl]phenoxy]ethyl]pyrrolidine; oxalic acid|Oxalic acid--1-(2-{4-[(2S,3R,4S)-2,4-diphenyloxolan-3-yl]phenoxy}ethyl)pyrrolidine (1/1)
| Molecular Formula | C30H33NO6 |
|---|---|
| Molecular Weight | 503.23077 g/mol |
| LogP | 4.9557 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.23077 |
| Monoisotopic Mass | 503.23077 |
| Heavy Atoms | 37 |
| Complexity | 1070.2528 |
Chemical Identifiers
| CAS Number | 54282-47-2 |
|---|---|
| SMILES | C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CO[C@@H]3C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O |
Product Overview
AC1MIBFY (CAS 54282-47-2), with molecular formula C30H33NO6 and molecular weight 503.23077 g/mol. IUPAC: 1-[2-[4-[(2S,3R,4S)-2,4-diphenyloxolan-3-yl]phenoxy]ethyl]pyrrolidine;oxalic acid.
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