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Home Other Building Blocks L-Homoserine, 4-(hydrogen butanedioate)

L-Homoserine, 4-(hydrogen butanedioate)

CAS No.:
1492-23-5
Catalog Number:
AG001LG7
Molecular Formula:
C8H13NO6
Molecular Weight:
219.1919
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Product Description
Catalog Number:
AG001LG7
Chemical Name:
L-Homoserine, 4-(hydrogen butanedioate)
CAS Number:
1492-23-5
Molecular Formula:
C8H13NO6
Molecular Weight:
219.1919
MDL Number:
MFCD00055782
IUPAC Name:
(2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid
InChI:
InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1
InChI Key:
GNISQJGXJIDKDJ-YFKPBYRVSA-N
SMILES:
O=C(CCC(=O)O)OCC[C@@H](C(=O)O)N
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
219.074g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
219.193g/mol
Monoisotopic Mass:
219.074g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7  
Literature
Title Journal
Escherichia coli cystathionine gamma-synthase does not obey ping-pong kinetics. Novel continuous assays for the elimination and substitution reactions. Biochemistry 20030930
Crystal structure of Escherichia coli cystathionine gamma-synthase at 1.5 A resolution. The EMBO journal 19981201
Properties