L-Aspartic acid sodium salt monohydrate

C4H8NNaO5CAS 323194-76-9173.10 g/mol

Open in Covalent MOL file
OO−NH2OHOH2ONa+
Carboxylic acidPrimary 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 Ų
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.

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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 (+-)-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 Arginine aspartate7675-83-4Salt L-Lysine-L-aspartate27348-32-9Salt

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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