Home Carbonyls L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-, acetate (ester)

L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-, acetate (ester)

CAS No.:
45214-52-6
Catalog Number:
AG00ILY2
Molecular Formula:
C11H19NO6
Molecular Weight:
261.2717
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Product Description
Catalog Number:
AG00ILY2
Chemical Name:
L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-, acetate (ester)
CAS Number:
45214-52-6
Molecular Formula:
C11H19NO6
Molecular Weight:
261.2717
MDL Number:
MFCD00151895
IUPAC Name:
(2S,3R)-3-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C11H19NO6/c1-6(17-7(2)13)8(9(14)15)12-10(16)18-11(3,4)5/h6,8H,1-5H3,(H,12,16)(H,14,15)/t6-,8+/m1/s1
InChI Key:
ZBDQHSHVSLIFAR-SVRRBLITSA-N
SMILES:
CC(=O)O[C@@H]([C@@H](C(=O)O)NC(=O)OC(C)(C)C)C
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
261.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
261.274g/mol
Monoisotopic Mass:
261.121g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties