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1217696-35-9 | Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-α-hydroxy-, (αR,βR)-rel-
CAS No: 1217696-35-9 Catalog No: AG0015WK MDL No:MFCD07363527
Product Description
Catalog Number:
AG0015WK
Chemical Name:
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-fluoro-α-hydroxy-, (αR,βR)-rel-
CAS Number:
1217696-35-9
Molecular Formula:
C14H18FNO5
Molecular Weight:
299.2948
MDL Number:
MFCD07363527
IUPAC Name:
(2R,3R)-3-(4-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18FNO5/c1-14(2,3)21-13(20)16-10(11(17)12(18)19)8-4-6-9(15)7-5-8/h4-7,10-11,17H,1-3H3,(H,16,20)(H,18,19)/t10-,11-/m1/s1
InChI Key:
YNOBBUWJBOPQEM-GHMZBOCLSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]([C@H](C(=O)O)O)c1ccc(cc1)F
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
299.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.298g/mol
Monoisotopic Mass:
299.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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