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89363-09-7 | Threonine, 2-(hydroxymethyl)-
CAS No: 89363-09-7 Catalog No: AG003YWQ MDL No:
Product Description
Catalog Number:
AG003YWQ
Chemical Name:
Threonine, 2-(hydroxymethyl)-
CAS Number:
89363-09-7
Molecular Formula:
C5H11NO4
Molecular Weight:
149.1451
IUPAC Name:
2-amino-3-hydroxy-2-(hydroxymethyl)butanoic acid
InChI:
InChI=1S/C5H11NO4/c1-3(8)5(6,2-7)4(9)10/h3,7-8H,2,6H2,1H3,(H,9,10)
InChI Key:
BDMGHVMVOVZVIX-UHFFFAOYSA-N
SMILES:
OC[C@@](C(=O)O)([C@H](O)C)N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.069g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
149.146g/mol
Monoisotopic Mass:
149.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5
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