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89196-21-4 | Asparagine, 3-hydroxy-
CAS No: 89196-21-4 Catalog No: AG003VMJ MDL No:
Product Description
Catalog Number:
AG003VMJ
Chemical Name:
Asparagine, 3-hydroxy-
CAS Number:
89196-21-4
Molecular Formula:
C4H8N2O4
Molecular Weight:
148.1173
IUPAC Name:
(2S)-2,4-diamino-3-hydroxy-4-oxobutanoic acid
InChI:
InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2?/m0/s1
InChI Key:
VQTLPSCRBFYDNX-PIKHSQJKSA-N
SMILES:
OC(=O)[C@H](C(C(=O)N)O)N
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
148.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
148.118g/mol
Monoisotopic Mass:
148.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.1
Literature
| Title | Journal |
|---|---|
| The old is new again: asparagine oxidation in calcium-dependent antibiotic biosynthesis. | ACS chemical biology 20070320 |
| Mechanistic and structural basis of stereospecific Cbeta-hydroxylation in calcium-dependent antibiotic, a daptomycin-type lipopeptide. | ACS chemical biology 20070320 |
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