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848949-85-9 | 4-Fluoro-L-leucine ethyl ester sulfate
CAS No: 848949-85-9 Catalog No: AG00353U MDL No:
Product Description
Catalog Number:
AG00353U
Chemical Name:
4-Fluoro-L-leucine ethyl ester sulfate
CAS Number:
848949-85-9
Molecular Formula:
C8H18FNO6S
Molecular Weight:
275.2950
IUPAC Name:
ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;sulfuric acid
InChI:
InChI=1S/C8H16FNO2.H2O4S/c1-4-12-7(11)6(10)5-8(2,3)9;1-5(2,3)4/h6H,4-5,10H2,1-3H3;(H2,1,2,3,4)/t6-;/m0./s1
InChI Key:
VWRTUFGLEMCOLL-RGMNGODLSA-N
SMILES:
OS(=O)(=O)O.CCOC(=O)[C@H](CC(F)(C)C)N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.291g/mol
Monoisotopic Mass:
275.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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