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5598-53-8

Basic Information
CAS No.: 5598-53-8
Name: Sodium L-aspartate
Article Data: 3
Molecular Structure:
Molecular Structure of 5598-53-8 (Sodium L-aspartate)
Formula: C4H5NNa2O4
Molecular Weight: 177.068
Synonyms: Asparticacid, disodium salt, L- (8CI);L-Aspartic acid, disodium salt (9CI);DisodiumL-aspartate;Disodium aspartate;Sodium L-aspartate;Sodium aspartate;
EINECS: 227-012-0
Density: 1.514g/cm3
Melting Point: 270-271oC
Boiling Point: 264.1 °C at 760 mmHg
Flash Point: 113.5 °C
PSA: 78.62000
LogP: -0.58090
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  • Sodium L-aspartate

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    Sodium L-aspartate

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  • Good Quality  L-sodium aspartate

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    5598-53-8

    Good Quality L-sodium aspartate

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  • sodium aspartate CAS NO.5598-53-8

  • Casno:

    5598-53-8

    sodium aspartate CAS NO.5598-53-8

    Min.Order: 10 Gram

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Specification

The CAS registry number of Sodium aspartate is 5598-53-8. The IUPAC name is disodium (2S)-2-aminobutanedioate. It is also called L-Aspartic acid, sodiumsalt (1:2). Its EINECS registry number is 227-012-0. In addition, the molecular formula is C4H7NO4.2Na and the molecular weight is 179.07. It should be stored in a cool and dry place.

Physical properties about Sodium aspartate are: (1)ACD/LogP: -0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.1; (4)ACD/LogD (pH 7.4): -4.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 77.84 Å2; (13)Flash Point: 113.5 °C; (14)Enthalpy of Vaporization: 55.26 kJ/mol; (15)Boiling Point: 264.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00289 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)C[C@H](N)C([O-])=O
(2)InChI: InChI=1/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
(3)InChIKey: XMXOIHIZTOVVFB-GAUWZLIYBB

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6800mg/kg (6800mg/kg)   Toxicology. Vol. 62, Pg. 203, 1990.