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114179-07-6 | L-Allothreonine, 2-methyl-
CAS No: 114179-07-6 Catalog No: AG000AQD MDL No:MFCD08274552
Product Description
Catalog Number:
AG000AQD
Chemical Name:
L-Allothreonine, 2-methyl-
CAS Number:
114179-07-6
Molecular Formula:
C5H11NO3
Molecular Weight:
133.1457
MDL Number:
MFCD08274552
IUPAC Name:
(2S,3S)-2-amino-3-hydroxy-2-methylbutanoic acid
InChI:
InChI=1S/C5H11NO3/c1-3(7)5(2,6)4(8)9/h3,7H,6H2,1-2H3,(H,8,9)/t3-,5-/m0/s1
InChI Key:
NWZTXAMTDLRLFP-UCORVYFPSA-N
SMILES:
C[C@@H]([C@@](C(=O)O)(N)C)O
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
133.074g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
133.147g/mol
Monoisotopic Mass:
133.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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