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100157-53-7,MFCD22416539
Catalog No.:AA00011C
100157-53-7 | D-Allothreonine, N-[(phenylmethoxy)carbonyl]-, methyl ester
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250mg
1 week  
$98.00
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1g
1 week  
$157.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00011C
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
Computed 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  

Synonyms
 
100157-53-7 
(2R,3R)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate 
MFCD22416539 
AKOS015998802 
FCH3616504 
AJ-27118 
AS-32463 
CJ-24607 
AX8226660 
ST2402228 
Z-3708 
N-Cbz-L-threonine methyl ester 
N-Cbz-D-allo-threonine Methyl Ester 
C13H17NO5 
NSC287509 
CID6992269 
N-Carbobenzoxy-l-threonine methyl ester 
(2R,3R)-Methyl2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate 
(2S,3R)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate 
57224-63-2 
Methyl N-[(benzyloxy)carbonyl]-D-allothreoninate 
D-Allothreonine, N-[(phenylmethoxy)carbonyl]-, methyl ester 
KS-00000ABU 
DTXSID00426302 
N-Cbz-D-allo-threonineMethylEster 
ZINC1564879 
4726AJ 
Literature
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