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1217694-49-9 | Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-fluoro-α-hydroxy-, (αR,βR)-rel-
CAS No: 1217694-49-9 Catalog No: AG0015WL MDL No:MFCD07363528
Product Description
Catalog Number:
AG0015WL
Chemical Name:
Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4-fluoro-α-hydroxy-, (αR,βR)-rel-
CAS Number:
1217694-49-9
Molecular Formula:
C24H20FNO5
Molecular Weight:
421.4177
MDL Number:
MFCD07363528
IUPAC Name:
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-fluorophenyl)-2-hydroxypropanoic acid
InChI:
InChI=1S/C24H20FNO5/c25-15-11-9-14(10-12-15)21(22(27)23(28)29)26-24(30)31-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-22,27H,13H2,(H,26,30)(H,28,29)/t21-,22-/m1/s1
InChI Key:
SQZGPGBZYHBPSB-FGZHOGPDSA-N
SMILES:
O=C(N[C@@H]([C@H](C(=O)O)O)c1ccc(cc1)F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
421.133g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
421.424g/mol
Monoisotopic Mass:
421.133g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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