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89426-52-8 | L-Threonine, 4-fluoro-N-[(phenylmethoxy)carbonyl]-
CAS No: 89426-52-8 Catalog No: AG00462E MDL No:
Product Description
Catalog Number:
AG00462E
Chemical Name:
L-Threonine, 4-fluoro-N-[(phenylmethoxy)carbonyl]-
CAS Number:
89426-52-8
Molecular Formula:
C12H14FNO5
Molecular Weight:
271.2417
IUPAC Name:
(2S,3S)-4-fluoro-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid
InChI:
InChI=1S/C12H14FNO5/c13-6-9(15)10(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2,(H,14,18)(H,16,17)/t9-,10+/m1/s1
InChI Key:
HGWMFQNALKWIJE-ZJUUUORDSA-N
SMILES:
FC[C@H]([C@@H](C(=O)O)NC(=O)OCc1ccccc1)O
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
271.086g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.244g/mol
Monoisotopic Mass:
271.086g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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