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82679-58-1 | D-THREONINE BENZYL ESTER
CAS No: 82679-58-1 Catalog No: AG005C94 MDL No:
Product Description
Catalog Number:
AG005C94
Chemical Name:
D-THREONINE BENZYL ESTER
CAS Number:
82679-58-1
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
benzyl (2R,3S)-2-amino-3-hydroxybutanoate
InChI:
InChI=1S/C11H15NO3/c1-8(13)10(12)11(14)15-7-9-5-3-2-4-6-9/h2-6,8,10,13H,7,12H2,1H3/t8-,10+/m0/s1
InChI Key:
IHRYAQVOEVWURS-WCBMZHEXSA-N
SMILES:
N[C@@H](C(=O)OCc1ccccc1)[C@@H](O)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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