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Home > Nitro Compounds > 16159-70-9
16159-70-9 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS No: 16159-70-9 Catalog No: AG001VPW MDL No:MFCD00069874
Product Description
Catalog Number:
AG001VPW
Chemical Name:
D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-, 4-nitrophenyl ester
CAS Number:
16159-70-9
Molecular Formula:
C20H22N2O6
Molecular Weight:
386.3985
MDL Number:
MFCD00069874
IUPAC Name:
(4-nitrophenyl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
InChI:
InChI=1S/C20H22N2O6/c1-20(2,3)28-19(24)21-17(13-14-7-5-4-6-8-14)18(23)27-16-11-9-15(10-12-16)22(25)26/h4-12,17H,13H2,1-3H3,(H,21,24)/t17-/m1/s1
InChI Key:
QZIWWFMMLBBICG-QGZVFWFLSA-N
SMILES:
O=C([C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
386.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.404g/mol
Monoisotopic Mass:
386.148g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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