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201353-89-1 | L-Allothreonine, O-(1,1-dimethylethyl)-
CAS No: 201353-89-1 Catalog No: AG002DCZ MDL No:MFCD00237373
Product Description
Catalog Number:
AG002DCZ
Chemical Name:
L-Allothreonine, O-(1,1-dimethylethyl)-
CAS Number:
201353-89-1
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
MDL Number:
MFCD00237373
IUPAC Name:
(2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoic acid
InChI:
InChI=1S/C8H17NO3/c1-5(6(9)7(10)11)12-8(2,3)4/h5-6H,9H2,1-4H3,(H,10,11)/t5-,6-/m0/s1
InChI Key:
NMJINEMBBQVPGY-WDSKDSINSA-N
SMILES:
C[C@@H]([C@@H](C(=O)O)N)OC(C)(C)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
175.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.228g/mol
Monoisotopic Mass:
175.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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