Asparagine monohydrate

C₄H₁₀N₂O₄CAS 5794-13-8150.13 g/mol

Open in Covalent MOL file

Carboxylic acid Primary 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 Å²
H-bond donors / acceptors: 4 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

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

Weigh it out

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

Similar compounds

D-Asparagine2058-58-489 % similar Asparagine3130-87-889 % similar Asparagine70-47-389 % similar Glutamine56-85-961 % similar Glutamine585-21-761 % similar D-Glutamine5959-95-561 % similar D-Aspartic acid1783-96-653 % similar Polyaspartic acid25608-40-653 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook