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479690-54-5 | 2-Oxazolidinone, 4-[(1S)-1-(benzoyloxy)-2-(phenylmethoxy)ethyl]-, (4R)-
CAS No: 479690-54-5 Catalog No: AG006Y50 MDL No:
Product Description
Catalog Number:
AG006Y50
Chemical Name:
2-Oxazolidinone, 4-[(1S)-1-(benzoyloxy)-2-(phenylmethoxy)ethyl]-, (4R)-
CAS Number:
479690-54-5
Molecular Formula:
C19H19NO5
Molecular Weight:
341.3579
IUPAC Name:
[(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate
InChI:
InChI=1S/C19H19NO5/c21-18(15-9-5-2-6-10-15)25-17(16-12-24-19(22)20-16)13-23-11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,20,22)/t16-,17-/m1/s1
InChI Key:
DQVKPGWQSKPQHR-IAGOWNOFSA-N
SMILES:
O=C1OC[C@@H](N1)[C@H](OC(=O)c1ccccc1)COCc1ccccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
341.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.363g/mol
Monoisotopic Mass:
341.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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