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102608-37-7 | L-Threonine, 4-(phenylmethoxy)-
CAS No: 102608-37-7 Catalog No: AG0007WG MDL No:
Product Description
Catalog Number:
AG0007WG
Chemical Name:
L-Threonine, 4-(phenylmethoxy)-
CAS Number:
102608-37-7
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
(2S,3S)-2-amino-3-hydroxy-4-phenylmethoxybutanoic acid
InChI:
InChI=1S/C11H15NO4/c12-10(11(14)15)9(13)7-16-6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10+/m1/s1
InChI Key:
DKYVPBBZOKKSLI-ZJUUUORDSA-N
SMILES:
O[C@@H]([C@@H](C(=O)O)N)COCc1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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