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1217603-27-4 | Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-fluoro-α-hydroxy-, (αR,βR)-rel-
CAS No: 1217603-27-4 Catalog No: AG0015TN MDL No:MFCD07363854
Product Description
Catalog Number:
AG0015TN
Chemical Name:
Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-3-fluoro-α-hydroxy-, (αR,βR)-rel-
CAS Number:
1217603-27-4
Molecular Formula:
C24H20FNO5
Molecular Weight:
421.4177
MDL Number:
MFCD07363854
IUPAC Name:
(2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-fluorophenyl)-2-hydroxypropanoic acid
InChI:
InChI=1S/C24H20FNO5/c25-15-7-5-6-14(12-15)21(22(27)23(28)29)26-24(30)31-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20-22,27H,13H2,(H,26,30)(H,28,29)/t21-,22-/m0/s1
InChI Key:
FSXQXXAESIAQAK-VXKWHMMOSA-N
SMILES:
O=C(N[C@@H]([C@H](C(=O)O)O)c1cccc(c1)F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
624
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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