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119323-52-3 | D-Allothreonine, O-(1,1-dimethylethyl)-
CAS No: 119323-52-3 Catalog No: AG000ILA MDL No:MFCD00153464
Product Description
Catalog Number:
AG000ILA
Chemical Name:
D-Allothreonine, O-(1,1-dimethylethyl)-
CAS Number:
119323-52-3
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
MDL Number:
MFCD00153464
IUPAC Name:
(2R,3R)-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-/m1/s1
InChI Key:
NMJINEMBBQVPGY-PHDIDXHHSA-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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