Home Aminos [(1S)-{(1'-(S)-N-Boc-amino-2-[4-nitrophenyl]ethyl}oxirane

[(1S)-{(1'-(S)-N-Boc-amino-2-[4-nitrophenyl]ethyl}oxirane

CAS No.:
622866-04-0
Catalog Number:
AG00JKJA
Molecular Formula:
C15H20N2O5
Molecular Weight:
308.3297
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Product Description
Catalog Number:
AG00JKJA
Chemical Name:
[(1S)-{(1'-(S)-N-Boc-amino-2-[4-nitrophenyl]ethyl}oxirane
CAS Number:
622866-04-0
Molecular Formula:
C15H20N2O5
Molecular Weight:
308.3297
MDL Number:
MFCD04035576
IUPAC Name:
tert-butyl N-[(1S)-2-(4-nitrophenyl)-1-[(2S)-oxiran-2-yl]ethyl]carbamate
InChI:
InChI=1S/C15H20N2O5/c1-15(2,3)22-14(18)16-12(13-9-21-13)8-10-4-6-11(7-5-10)17(19)20/h4-7,12-13H,8-9H2,1-3H3,(H,16,18)/t12-,13+/m0/s1
InChI Key:
HTONGEVUVJEIRS-QWHCGFSZSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]([C@@H]1OC1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
407  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
308.137g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.334g/mol
Monoisotopic Mass:
308.137g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties