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176504-90-8 | Carbamic acid, N-[(1S)-3-(dimethoxyphosphinyl)-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS No: 176504-90-8 Catalog No: AG0024QG MDL No:MFCD00798803
Product Description
Catalog Number:
AG0024QG
Chemical Name:
Carbamic acid, N-[(1S)-3-(dimethoxyphosphinyl)-2-oxo-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester
CAS Number:
176504-90-8
Molecular Formula:
C17H26NO6P
Molecular Weight:
371.3652
MDL Number:
MFCD00798803
IUPAC Name:
tert-butyl N-[(2S)-4-dimethoxyphosphoryl-3-oxo-1-phenylbutan-2-yl]carbamate
InChI:
InChI=1S/C17H26NO6P/c1-17(2,3)24-16(20)18-14(11-13-9-7-6-8-10-13)15(19)12-25(21,22-4)23-5/h6-10,14H,11-12H2,1-5H3,(H,18,20)/t14-/m0/s1
InChI Key:
YJHUSWVPKPKDHE-AWEZNQCLSA-N
SMILES:
COP(=O)(CC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)OC
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
371.15g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.37g/mol
Monoisotopic Mass:
371.15g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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