L-Aspartic Acid Sodium

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CAS Number

5598-53-8

Synonyms

Disodium; (2S) -2-aminobutanedioate

Purity

98%

Smiles

C([C@@H](C(=O)[O-])N)C(=O)[O-].[Na+].[Na+]

Chemical Information

L-Aspartic acid, sodium salt (1:2)

See also: l-aspartic acid, sodium salt (annotation moved to); Sodium L-aspartate (annotation moved to).

CAS Number	5598-53-8
PubChem CID	21806
IUPAC Name	disodium;(2S)-2-aminobutanedioate
Molecular Formula	C4H5NNa2O4
Molecular Weight	177.07
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	122

SMILES

C([C@@H](C(=O)[O-])N)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C4H7NO4.2Na/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;/q;2*+1/p-2/t2-;;/m0../s1

InChIKey

XMXOIHIZTOVVFB-JIZZDEOASA-L

Chemical Structure

2D Structure

CAS: 5598-53-8

CID: 21806

Formula: C4H5NNa2O4

MW: 177.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.07
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	177.00139620
Monoisotopic Mass	177.00139620
Topological Polar Surface Area	106 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	122
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

Catalog	Name
BUP18786-01	L-Aspartic aicd sodium
BUP18743-01	L-Aspartic acid
BIA0705-01	L-Aspartic acid
OR1055988	L-Histidyl-L-aspartic acid
OR1030122-01	Benzoyl-L-Aspartic Acid
OR1035874	L-Aspartic acid ß-hydroxamate
BUP19107	Fmoc-L-aspartic acid
OR1031623	L-Aspartic acid-13C4
DE2083	L-Aspartic acid-D3
OR1005462	L-Aspartic acid-15N

Catalog	Name
03504-62	L-Aspartic Acid Sodium Salt
AB1178	L-Aspartic acid sodium salt monohydrate
462770-01	Poly-L-Aspartic Acid Sodium Salt
239187-01	L-Aspartic acid sodium salt monohydrate 99+%
FS12670-01	D-Aspartic acid sodium salt
HY-76082A	L-Pyroglutamic acid (sodium)
T75271-01	L-Pyroglutamic acid sodium
MBS5799516-01	L-Glyceric acid sodium
MI170962-01	L-Idonic acid sodium
MG182938-01	L-Guluronic acid sodium