L-Aspartic acid sodium salt monohydrate

C₄H₈NNaO₅CAS 323194-76-9173.10 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₄H₈NNaO₅
Molar mass: 173.10 g/mol
Exact mass: 173.0300 Da
logP: -6.28Crippen estimate
Polar surface area: 134.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

323194-76-9

SMILES

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

InChIKey

PPTHNBYUFXSJPS-JIZZDEOASA-M

InChI

InChI=1S/C4H7NO4.Na.H2O/c5-2(4(8)9)1-3(6)7;;/h2H,1,5H2,(H,6,7)(H,8,9);;1H2/q;+1;/p-1/t2-;;/m0../s1

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Names and synonyms

1 names

Sodium aspartate monohydrate

Work with L-Aspartic acid sodium salt monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Monosodium aspartate3792-50-5Anhydrous Aspartic acid56-84-8Free acid Polyaspartic acid25608-40-6Free acid L-Aspartic acid6899-03-2Free acid DL-Aspartic acid617-45-8Free acid, stereo not defined D-Aspartic acid1783-96-6Free acid, enantiomer Zinc L-aspartate36393-20-1Salt Potassium magnesium hydrogen DL-aspartate8076-65-1Salt, stereo not defined Monopotassium aspartate1115-63-5Salt Ornithine aspartate3230-94-2Salt L-Lysine-L-aspartate27348-32-9Salt Monopotassium DL-aspartate923-09-1Salt, stereo not defined

Similar compounds

Sodium tartrate dihydrate6106-24-746 % similar Sodium glutamate monohydrate6106-04-344 % similar (3S)-3-Amino-4-methoxy-4-oxobutanoic acid17812-32-743 % similar Dl-glutamic acid monohydrate19285-83-743 % similar 1-Methyl hydrogen D-aspartate65414-78-043 % similar Monopotassium monosodium tartrate tetrahydrate6381-59-542 % similar Disodium L-tyrosinate69847-45-641 % similar H-Asp-otbu4125-93-340 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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