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100516-54-9 | 4-Morpholinecarboxylic acid, 6-oxo-2,3-diphenyl-, phenylmethyl ester, (2R,3S)-
CAS No: 100516-54-9 Catalog No: AG00027L MDL No:MFCD00074958
Product Description
Catalog Number:
AG00027L
Chemical Name:
4-Morpholinecarboxylic acid, 6-oxo-2,3-diphenyl-, phenylmethyl ester, (2R,3S)-
CAS Number:
100516-54-9
Molecular Formula:
C24H21NO4
Molecular Weight:
387.4278
MDL Number:
MFCD00074958
IUPAC Name:
benzyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
InChI:
InChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m0/s1
InChI Key:
HECRUWTZAMPQOS-XZOQPEGZSA-N
SMILES:
O=C1O[C@H](c2ccccc2)[C@@H](N(C1)C(=O)OCc1ccccc1)c1ccccc1
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
387.147g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.435g/mol
Monoisotopic Mass:
387.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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