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Home > Fluorides > 132746-47-5
132746-47-5 | D-Glutamic acid, 4-fluoro-, (4S)-
CAS No: 132746-47-5 Catalog No: AG00113J MDL No:
Product Description
Catalog Number:
AG00113J
Chemical Name:
D-Glutamic acid, 4-fluoro-, (4S)-
CAS Number:
132746-47-5
Molecular Formula:
C5H8FNO4
Molecular Weight:
165.1197
IUPAC Name:
(2R,4S)-2-amino-4-fluoropentanedioic acid
InChI:
InChI=1S/C5H8FNO4/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)/t2-,3+/m0/s1
InChI Key:
JPSHPWJJSVEEAX-STHAYSLISA-N
SMILES:
OC(=O)[C@@H](C[C@@H](C(=O)O)F)N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
165.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.12g/mol
Monoisotopic Mass:
165.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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