N-alpha-Phthalyl-L-Asparagine
Basic information
- CAS
42406-52-0- Standard SMILES
NC(=O)C[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O- InChIKey
FXHJNPKWNYXBKP-QMMMGPOBSA-N- Molecular formula
- C12H10N2O5
- Average molar mass
- 262.22 g/mol
- Monoisotopic mass
- 262.05897142
Names & identifiers
- Preferred name
- N-alpha-Phthalyl-L-Asparagine
- IUPAC
- (2S)-4-amino-2-(1,3-dioxoisoindol-2-yl)-4-oxobutanoic acid
- English name
- N-alpha-Phthalyl-L-asparagine
- Molecular formula
- C12H10N2O5
- Molecular weight
- 262.22
Names & synonyms
42406-52-0N-alpha-Phthalyl-L-AsparaginePht-Asn-OH(S)-4-Amino-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoic acidMFCD00190991(2S)-4-amino-2-(1,3-dioxoisoindol-2-yl)-4-oxobutanoic acid(S)-4-Amino-2-(1,3-dioxoisoindolin-2-yl)-4-oxobutanoicacid(2S)-4-amino-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-oxobutanoic acidN-a-Phthalyl-L-asparagineSCHEMBL623426DTXSID10373333(2S)-4-amino-2-(1,3-dioxoisoindolin-2-yl)-4-oxo-butanoic acid
Show more names
PHTHALYL-L-ASPARAGINEPHTHALOYL-L-ASPARAGINEN--Phthalyl-L-asparagineN-α-Phthalyl-L-asparagineN-a-Phthaloyl-L-asparagineN-α-Phthaloyl-L-asparagineN-.ALPHA.- PHTHALOYL-L-ASPARAGINE
AKOS023035712AC-6486FP43061AS-39096SY063516CS-0172731F011841(S)-4-Amino-2-(1,3-dioxo-2-isoindolinyl)-4-oxobutanoic Acid
Database identifiers
- CAS
42406-52-0- PubChem CID
- 2756321
- DTXSID
DTXSID10373333
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 423
Physicochemical properties
- Melting point
- 200 · 200-201 °C
- Boiling point
- 576.1 · 576.1±45.0 °C(Predicted)
- Density
- 1.573 · 1.573±0.06 g/cm3(Predicted)
- storage temp.
- 0 °C · Store at 0°C
- pka
- 3.41 · 3.41±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…