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

HCID 21806CAS 17090-93-6

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Basic information

Standard SMILES: N[C@@H](CC(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChIKey: XMXOIHIZTOVVFB-JIZZDEOASA-L
Molecular formula: C4H5NNa2O4
Average molar mass: 177.07 g/mol
Monoisotopic mass: 177.0013962

Overview

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

Names & identifiers

Preferred name: L-Aspartic acid, sodium salt (1:2)
IUPAC: disodium;(2S)-2-aminobutanedioate
English name: L-aspartic acid, sodium salt
Molecular formula: C4H8NNaO4
Molecular weight: 157.1

Names & synonyms

5598-53-8Disodium L-aspartatedisodium aspartateASPARTIC ACID, DISODIUM SALT, L-48MC6MXP9XL-Aspartic acid, sodium salt (1:2)DTXSID501014348RefChem:924391DTXCID401366405227-012-0L-Aspartic acid sodiumdisodium;(2S)-2-aminobutanedioate

Show more names

L-ASPARTATEL-Aspartic acid/sodium,(1:x) salt

(S)-2-Aminosuccinic acid, sodium saltMFCD00082327L-Aspartic acid, disodium saltSodium aspartate,l17090-93-6Aspartic acid disodium saltAspartic acid, sodium saltCCRIS 6565

Database identifiers

CAS: 17090-93-6、5598-53-8
PubChem CID: 21806
DTXSID: DTXSID501014348
UNII: 48MC6MXP9X
EC Number: 227-012-0
Nikkaji: J184.561F

Properties

Computed structural properties

Topological polar surface area: 106 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 122

Experimental & physicochemical properties

CosmeticsBuffering; Hair conditioning

Physicochemical properties

Cosmetics Ingredients Functions: HUMECTANTHAIR CONDITIONINGBUFFERING
FDA UNII: 5 R735TZQ · SV5R735TZQ
REACH Registrations: Active

Safety & regulation

Safety data

REACH Registrations: Active

Chemistry & industry

Uses & manufacturing

Use ClassificationCosmetics -> Buffering; Hair conditioning

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Additional notes · 1 item

DefinitionChEBI: L-aspartate(2-) is an aspartate(2-) that is the conjugate base of L-aspartate(1-). It has a role as a fundamental metabolite. It is an aspartate(2-) and a L-alpha-amino acid anion. It is a conjugate base of a L-aspartate(1-). It is an enantiomer of a D-aspartate(2-).