CAS 5794-24-1|CAS 5794-13-8|(2R)-2-amino-3-carbamoylpropanoic acid hydrate|D-asparagine hydrate|L-Asparagine monohydrate|(R)-2,4-Diamino-4-oxobutanoic acid hydrate|D-天冬酰胺一水合物|(R)-(-)-2-Amin...

General Information

Structure

Molecular Formula

C₄H₁₀N₂O₄

Molecular Mass

150.1332

Exact Mass

150.06405681

Charge

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-;/m1./s1

InChIKey

RBMGJIZCEWRQES-HSHFZTNMSA-N

Canonic Smiles

NC(=O)C[C@H](C(=O)O)N.O

Isomeric Smiles

C(=O)([C@@H](CC(=O)N)N)O.O

Calculated Properties

JChem

Acid pKa

1.9985391

H Acceptors

H Donor

LogD (pH = 5.5)

-4.2879124

LogD (pH = 7.4)

-4.3236184

Log P

-4.287831

Molar Refractivity

28.3549

Polarizability

11.510928

Polar Surface Area

106.41

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

L-Asparagine monohydrate(R)-2,4-Diamino-4-oxobutanoic acid hydrateD-天冬酰胺一水合物D-Asparagine monohydrate(R)-(-)-2-Aminosuccinamic acid(D)-天冬氨酸-4-酰胺(R)-(-)-2-氨基琥珀酰胺酸(R)-2-氨基琥珀酸-4-酰胺(D)-Aspartic acid 4-amide(R)-2-Aminosuccinic acid 4-amideD-alpha-Aminosuccinamic AcidD-ASPARAGINE MONOHYDRATE

IUPAC name

(2R)-2-amino-3-carbamoylpropanoic acid hydrate

IUPAC Traditional name

D-asparagine hydrate

Names and Identifiers

Registration numbers

MDL Number

MFCD00149558MFCD00151038

Beilstein Number

1723526

CAS Number

5794-24-15794-13-8