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100157-53-7 | D-Allothreonine, N-[(phenylmethoxy)carbonyl]-, methyl ester
CAS No: 100157-53-7 Catalog No: AG000144 MDL No:MFCD22416539
Product Description
Catalog Number:
AG000144
Chemical Name:
D-Allothreonine, N-[(phenylmethoxy)carbonyl]-, methyl ester
CAS Number:
100157-53-7
Molecular Formula:
C13H17NO5
Molecular Weight:
267.2778
MDL Number:
MFCD22416539
IUPAC Name:
methyl (2R,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate
InChI:
InChI=1S/C13H17NO5/c1-9(15)11(12(16)18-2)14-13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,17)/t9-,11-/m1/s1
InChI Key:
OPZWAOJFQFYYIX-MWLCHTKSSA-N
SMILES:
COC(=O)[C@@H]([C@H](O)C)NC(=O)OCc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
267.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.281g/mol
Monoisotopic Mass:
267.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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