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208706-75-6

208706-75-6 | L-Aspartic acid, 3-(phenylmethoxy)-, (3S)-

CAS No: 208706-75-6 Catalog No: AG002JUF MDL No:

Product Description

Catalog Number:
AG002JUF
Chemical Name:
L-Aspartic acid, 3-(phenylmethoxy)-, (3S)-
CAS Number:
208706-75-6
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
IUPAC Name:
(2S,3S)-2-amino-3-phenylmethoxybutanedioic acid
InChI:
InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
InChI Key:
BYOBCYXURWDEDS-IUCAKERBSA-N
SMILES:
N[C@@H]([C@@H](C(=O)O)OCc1ccccc1)C(=O)O

Properties

Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4  

Literature

Title Journal
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