Basic information
- Standard SMILES
O=C(OCc1ccccc1)[C@H](CCCCO)N1C(=O)c2ccccc2C1=O- InChIKey
RRFKCUVRPVCAFY-SFHVURJKSA-N- Molecular formula
- C21H21NO5
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- (S)-2-Phthalimido-6-hydroxyhexanoic acid, phenylmethyl ester
- IUPAC
- benzyl (2S)-2-(1,3-dioxoisoindol-2-yl)-6-hydroxyhexanoate
Names & synonyms
SCHEMBL10725924RRFKCUVRPVCAFY-SFHVURJKSA-Nbenzyl 6-hydroxy-2(S)-phthalimidohexanoate(S)-2-Phthalimido-6-hydroxyhexanoic acid, phenylmethyl ester
Database identifiers
- PubChem CID
- 13851095
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 519
Related reactions
12 records
Linked notes
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