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1217777-82-6 | Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-α-hydroxy-4-(trifluoromethyl)-, (αR,βR)-rel-
CAS No: 1217777-82-6 Catalog No: AG0015Y9 MDL No:MFCD07363582
Product Description
Catalog Number:
AG0015Y9
Chemical Name:
Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-α-hydroxy-4-(trifluoromethyl)-, (αR,βR)-rel-
CAS Number:
1217777-82-6
Molecular Formula:
C25H20F3NO5
Molecular Weight:
471.4252
MDL Number:
MFCD07363582
IUPAC Name:
(2R,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C25H20F3NO5/c26-25(27,28)15-11-9-14(10-12-15)21(22(30)23(31)32)29-24(33)34-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-22,30H,13H2,(H,29,33)(H,31,32)/t21-,22-/m1/s1
InChI Key:
MWYLISRBKNDQSE-FGZHOGPDSA-N
SMILES:
O=C(N[C@@H]([C@H](C(=O)O)O)c1ccc(cc1)C(F)(F)F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
471.129g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
471.432g/mol
Monoisotopic Mass:
471.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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