200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1256490-31-9
1256490-31-9 | L-Alanine, N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-, 1-methylethyl ester
CAS No: 1256490-31-9 Catalog No: AG000O8T MDL No:
Product Description
Catalog Number:
AG000O8T
Chemical Name:
L-Alanine, N-[(S)-(4-nitrophenoxy)phenoxyphosphinyl]-, 1-methylethyl ester
CAS Number:
1256490-31-9
Molecular Formula:
C18H21N2O7P
Molecular Weight:
408.3423
IUPAC Name:
propan-2-yl (2S)-2-[[(4-nitrophenoxy)-phenoxyphosphoryl]amino]propanoate
InChI:
InChI=1S/C18H21N2O7P/c1-13(2)25-18(21)14(3)19-28(24,26-16-7-5-4-6-8-16)27-17-11-9-15(10-12-17)20(22)23/h4-14H,1-3H3,(H,19,24)/t14-,28-/m0/s1
InChI Key:
NYJKISSOEZMRHH-POXGOYDTSA-N
SMILES:
CC(OC(=O)[C@@H](N[P@](=O)(Oc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-])C)C
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
408.109g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
408.347g/mol
Monoisotopic Mass:
408.109g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.