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- Bis[2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 2,4-diphenylcyclobutane-1,3-dicarboxylate, stereoisomer
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Catalog Number | ACM490175-1 |
CAS Number | 490-17-5 |
Synonyms | 2,4-Diphenyl-1,3-cyclobutanedicarboxylic acid bis[2-(methoxycarbonyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester |
Molecular Weight | 658.8 |
InChI | InChI=1S/C38H46N2O8/c1-39-23-15-17-25(39)31(35(41)45-3)27(19-23)47-37(43)33-29(21-11-7-5-8-12-21)34(30(33)22-13-9-6-10-14-22)38(44)48-28-20-24-16-18-26(40(24)2)32(28)36(42)46-4/h5-14,23-34H,15-20H2,1-4H3/t23-,24-,25+,26+,27-,28-,29,30,31+,32+,33,34/m0/s1 |
InChI Key | BUOSLGZEBFSUDD-BGPZCGNYSA-N |
Melting Point | 80 °C |
Purity | 95%+ |
Complexity | 1110 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 8 |
Exact Mass | 658.32541643 |
Heavy Atom Count | 48 |
Hydrogen Bond Acceptor Count | 10 |
Hydrogen Bond Donor Count | 0 |
Isomeric SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3C(C(C3C4=CC=CC=C4)C(=O)O[C@H]5C[C@@H]6CC[C@H]([C@H]5C(=O)OC)N6C)C7=CC=CC=C7)C(=O)OC |
Monoisotopic Mass | 658.32541643 |
PhysicalState | Powder |
Rotatable Bond Count | 12 |
Topological Polar Surface Area | 112 Ų |
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