2-[4-(1,3-Dioxoisoindol-2-yl)-2-hydroxy-3-oxo-butyl]isoindole-1,3-dione
Basic information
- CAS
79186-31-5- Standard SMILES
O=C(CN1C(=O)c2ccccc2C1=O)C(O)CN1C(=O)c2ccccc2C1=O- InChIKey
ZJZYQKKDHFXIAM-UHFFFAOYSA-N- Molecular formula
- C20H14N2O6
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 378.08518617
Names & identifiers
- Preferred name
- 2-[4-(1,3-Dioxoisoindol-2-yl)-2-hydroxy-3-oxo-butyl]isoindole-1,3-dione
- IUPAC
- 2-[4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3-oxobutyl]isoindole-1,3-dione
Names & synonyms
NSC35135179186-31-5MLS003171099NSC-351351CHEMBL1878558DTXSID503198562-[4-(1,3-dioxoisoindol-2-yl)-2-hydroxy-3-oxo-butyl]isoindole-1,3-dioneNCI60_003138SMR0018750082,2'-(2-Hydroxy-3-oxobutane-1,4-diyl)bis(1H-isoindole-1,3(2H)-dione)2,2'-(2-Hydroxy-3-oxobutane-1,4-diyl)di(1H-isoindole-1,3(2H)-dione)2-[4-(1,3-dioxoisoindolin-2-yl)-2-hydroxy-3-oxo-butyl]isoindoline-1,3-dione
Database identifiers
- CAS
79186-31-5- PubChem CID
- 336575
- DTXSID
DTXSID50319856- ChEMBL
CHEMBL1878558
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 686
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Compound notes
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