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Home > Nitro Compounds > 29365-05-7
29365-05-7 | L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) 1-(4-nitrophenyl) ester
CAS No: 29365-05-7 Catalog No: AG002Y5U MDL No:
Product Description
Catalog Number:
AG002Y5U
Chemical Name:
L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) 1-(4-nitrophenyl) ester
CAS Number:
29365-05-7
Molecular Formula:
C19H26N2O8
Molecular Weight:
410.4183
IUPAC Name:
4-O-tert-butyl 1-O-(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
InChI:
InChI=1S/C19H26N2O8/c1-18(2,3)28-15(22)11-14(20-17(24)29-19(4,5)6)16(23)27-13-9-7-12(8-10-13)21(25)26/h7-10,14H,11H2,1-6H3,(H,20,24)/t14-/m0/s1
InChI Key:
PHQSQVFTGWZWKF-AWEZNQCLSA-N
SMILES:
O=C(OC(C)(C)C)C[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
410.169g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
410.423g/mol
Monoisotopic Mass:
410.169g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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