N2-(L-(alpha-Aspartyl))-L-asparagine
Basic information
- CAS
13433-11-9- Standard SMILES
NC(=O)C[C@H](N[C@](N)(CC(=O)O)C(=O)O)C(=O)O- InChIKey
WTMPZWFMUZGWQR-FIQSIYOXSA-N- Molecular formula
- C8H13N3O7
- Average molar mass
- 263.2 g/mol
- Monoisotopic mass
- 263.07534976
Names & identifiers
- Preferred name
- N2-(L-(alpha-Aspartyl))-L-asparagine
- IUPAC
- (2R)-2-amino-2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]butanedioic acid
- English name
- L-Asparagine, L-α-aspartyl-
- Molecular formula
- C8H13N3O6
- Molecular weight
- 247.21
Names & synonyms
N2-(L-(ALPHA-ASPARTYL))-L-ASPARAGINEDTXSID101586472-Amino-N-[(1S)-3-amino-1-carboxy-3-oxopropyl]-D-aspartic acidAspartyl-asparagine605656-1L-α-Aspartyl-L-asparagineL-Asparagine, L-α-aspartyl-Asparagine Impurity 7 (Asparagine EP Impurity G)
Database identifiers
- CAS
13433-11-9- PubChem CID
- 25988
- DTXSID
DTXSID10158647
Properties
Computed structural properties
- XLogP
- -8.2
- Topological polar surface area
- 193 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 731 · 731.0±60.0 °C(Predicted)
- Density
- 1.535 · 1.535±0.06 g/cm3(Predicted)
- pka
- 2.78 · 2.78±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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