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102507-13-1 | L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
CAS No: 102507-13-1 Catalog No: AG0007M6 MDL No:MFCD03094792
Product Description
Catalog Number:
AG0007M6
Chemical Name:
L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
CAS Number:
102507-13-1
Molecular Formula:
C10H19NO5
Molecular Weight:
233.2616
MDL Number:
MFCD03094792
IUPAC Name:
(2S)-3-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI:
InChI=1S/C10H19NO5/c1-9(2,3)16-8(14)11-6(7(12)13)10(4,5)15/h6,15H,1-5H3,(H,11,14)(H,12,13)/t6-/m1/s1
InChI Key:
SZVRVSZFEDIMFM-ZCFIWIBFSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(O)(C)C)C(=O)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
233.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.264g/mol
Monoisotopic Mass:
233.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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