200,000+ products from a single source!

sales@angenechem.com

Home > Amines > 1260589-95-4

1260589-95-4

1260589-95-4 | Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-α-hydroxy-, phenylmethyl ester, (αR,βS)-

CAS No: 1260589-95-4 Catalog No: AG000QUQ MDL No:

Product Description

Catalog Number:
AG000QUQ
Chemical Name:
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-α-hydroxy-, phenylmethyl ester, (αR,βS)-
CAS Number:
1260589-95-4
Molecular Formula:
C21H24FNO5
Molecular Weight:
389.4174
IUPAC Name:
benzyl (2R,3S)-3-(4-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C21H24FNO5/c1-21(2,3)28-20(26)23-17(15-9-11-16(22)12-10-15)18(24)19(25)27-13-14-7-5-4-6-8-14/h4-12,17-18,24H,13H2,1-3H3,(H,23,26)/t17-,18+/m0/s1
InChI Key:
GXFQABMBAVGNHC-ZWKOTPCHSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]([C@H](C(=O)OCc1ccccc1)O)c1ccc(cc1)F

Properties

Complexity:
507  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
389.164g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
389.423g/mol
Monoisotopic Mass:
389.164g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

© 2019 Angene International Limited. All rights Reserved.