3a,6-Epoxy-3aH-isoindole-2,6(1H,7H)-dicarboxylic acid, tetrahydro-, 2-(1,1-dimethylethyl) 6-ethyl ester, (3aR,6S,7aR)-rel-
Basic information
- CAS
1273562-73-4- Standard SMILES
CCOC(=O)[C@]12CC[C@@]3(CN(C(=O)OC(C)(C)C)C[C@H]3C1)O2- InChIKey
FNBZSKDLSLVWOX-RLCCDNCMSA-N- Molecular formula
- C16H25NO5
- Average molar mass
- 311.37 g/mol
- Monoisotopic mass
- 311.1732729
Names & identifiers
- Preferred name
- 3a,6-Epoxy-3aH-isoindole-2,6(1H,7H)-dicarboxylic acid, tetrahydro-, 2-(1,1-dimethylethyl) 6-ethyl ester, (3aR,6S,7aR)-rel-
- IUPAC
- 3-O-tert-butyl 7-O-ethyl (1R,5R,7S)-10-oxa-3-azatricyclo[5.2.1.01,5]decane-3,7-dicarboxylate
Names & synonyms
DTXSID1011045871273562-73-43a,6-Epoxy-3aH-isoindole-2,6(1H,7H)-dicarboxylic acid, tetrahydro-, 2-(1,1-dimethylethyl) 6-ethyl ester, (3aR,6S,7aR)-rel-
Database identifiers
- CAS
1273562-73-4- PubChem CID
- 165366993
- DTXSID
DTXSID101104587
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 499
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Compound notes
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