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1260618-08-3 | Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-α-hydroxy-, phenylmethyl ester, (αR,βS)-
CAS No: 1260618-08-3 Catalog No: AG000QX0 MDL No:
Product Description
Catalog Number:
AG000QX0
Chemical Name:
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-α-hydroxy-, phenylmethyl ester, (αR,βS)-
CAS Number:
1260618-08-3
Molecular Formula:
C21H24FNO5
Molecular Weight:
389.4174
IUPAC Name:
benzyl (2R,3S)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI:
InChI=1S/C21H24FNO5/c1-21(2,3)28-20(26)23-17(15-11-7-8-12-16(15)22)18(24)19(25)27-13-14-9-5-4-6-10-14/h4-12,17-18,24H,13H2,1-3H3,(H,23,26)/t17-,18+/m0/s1
InChI Key:
MTOJIFGXBLCBKR-ZWKOTPCHSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](c1ccccc1F)[C@H](C(=O)OCc1ccccc1)O
Properties
Complexity:
515
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
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