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112741-49-8

112741-49-8 | 4-Morpholinecarboxylicacid, 6-oxo-2,3-diphenyl-, 1,1-dimethylethyl ester, (2R,3S)-

CAS No: 112741-49-8 Catalog No: AG0038BF MDL No:MFCD00074955

Product Description

Catalog Number:
AG0038BF
Chemical Name:
4-Morpholinecarboxylicacid, 6-oxo-2,3-diphenyl-, 1,1-dimethylethyl ester, (2R,3S)-
CAS Number:
112741-49-8
Molecular Formula:
C21H23NO4
Molecular Weight:
353.4116
MDL Number:
MFCD00074955
IUPAC Name:
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
InChI Key:
MRUKRSQUUNYOFK-RBUKOAKNSA-N
SMILES:
O=C1CN(C(=O)OC(C)(C)C)[C@H]([C@H](O1)c1ccccc1)c1ccccc1

Properties

Complexity:
501  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
353.163g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.418g/mol
Monoisotopic Mass:
353.163g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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