| CAS Number | 848949-85-9 |
| Catalog Number | AG00353U(AGN-PC-0UV7AO) |
| Chemical Name | 4-Fluoro-L-leucine ethyl ester sulfate |
| 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 |
| MDL Number | MFCD22124676 |
| Molecular Formula | C8H18FNO6S |
| Molecular Weight | 275.2950 |
| SMILES | S(=O)(=O)(O)O.C(C)OC([C@@H](N)CC(C)(C)F)=O |
| Synonyms | 848949-85-9,
(S)-ethyl 2-amino-4-fluoro-4-methylpentanoate sulfate,
L-Leucine, 4-fluoro-, ethyl ester, sulfate (1:1),
KS-00001EII,
CS-M1421,
AKOS028109694,
4-Fluoro-L-leucine ethyl ester sulfate,
CS-13905,
Ethyl 4-fluoro-L-leucinate sulfate (1:1),
FT-0689656,
(S)-ethyl2-amino-4-fluoro-4-methylpentanoatesulfate,
CID11448742,
IUPAC: Ethyl (2S)-2-amino-4-fluoro-4-methyl-pentanoate; Sulfuric Acid,
|
| 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 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
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Hazard Class
|
8
|
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Hazard statements
|
H302-H317-H318
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P272-P280-P301+P312-P302+P352-P305+P351+P338-P310-P321-P330-P333+P313-P363-P501
|
|
UN Code
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UN 3261
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Certificate of Analysis
Lot Number