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5854-77-3 | O-tert-Butyl-L-threonine tert-butyl ester acetate salt
CAS No: 5854-77-3 Catalog No: AG0035FP MDL No:MFCD00145051
Product Description
Catalog Number:
AG0035FP
Chemical Name:
O-tert-Butyl-L-threonine tert-butyl ester acetate salt
CAS Number:
5854-77-3
Molecular Formula:
C14H29NO5
Molecular Weight:
291.3838
MDL Number:
MFCD00145051
IUPAC Name:
acetic acid;tert-butyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
InChI:
InChI=1S/C12H25NO3.C2H4O2/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7;1-2(3)4/h8-9H,13H2,1-7H3;1H3,(H,3,4)/t8-,9+;/m1./s1
InChI Key:
BGAUVMFJRASONL-RJUBDTSPSA-N
SMILES:
C[C@H]([C@@H](C(=O)OC(C)(C)C)N)OC(C)(C)C.CC(=O)O
EC Number:
227-464-9
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
291.205g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.388g/mol
Monoisotopic Mass:
291.205g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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