tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

CAS: 112741-49-8

Formula: C21H23NO4

SMILES: CC(C)(C)OC(=O)N1CC(=O)O[C@@H]([C@@H]1C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

InChI: InChI=1S/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3/t18-,19+/m0/s1

Composition: C (71.37%), H (6.56%), N (3.96%), O (18.11%)

Molar Mass: 353.418

Atom Count: 49

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	353.162708225
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MRUKRSQUUNYOFK-RBUKOAKNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.14
Topological Polar Surface Area	55.84
Polarizability	38.42
Ring Count	3
Rotatable Bond Count	4

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