Asparagine monohydrate

C4H10N2O4CAS 5794-13-8150.13 g/mol

Open in Covalent MOL file
NH2ONH2OOHH2O
Carboxylic acidPrimary amine

Properties

Molecular formula
C4H10N2O4
Molar mass
150.13 g/mol
Exact mass
150.0641 Da
Melting point
235 °C
logP
-1.50Crippen estimate
Polar surface area
138.9 Ų
H-bond donors / acceptors
4 / 3
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
5794-13-8
SMILES
N=C(O)C[C@H](N)C(=O)O.O
InChIKey
RBMGJIZCEWRQES-DKWTVANSSA-N
InChI
InChI=1S/C4H8N2O3.H2O/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H2,6,7)(H,8,9);1H2/t2-;/m0./s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • L-Asparagine, hydrate (1:1)
  • Asparagine, monohydrate, L-
  • L-Asparagine, monohydrate

Work with Asparagine 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.

Asparagine70-47-3Anhydrous DL-Asparagine3130-87-8Anhydrous, stereo not defined D-Asparagine2058-58-4Anhydrous, enantiomer Dl-asparagine hydrate69833-18-7Stereo not defined

Similar compounds

Glutamine56-85-961 % similar Glutamine585-21-761 % similar D-Glutamine5959-95-561 % similar D-Aspartic acid1783-96-653 % similar Polyaspartic acid25608-40-653 % similar Aspartic acid56-84-853 % similar (+-)-Aspartic acid617-45-853 % similar L-Aspartic acid6899-03-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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