Basic information
- CAS
38361-03-4- Standard SMILES
COCC1C2CC(=O)OC2C(I)C1OC(=O)c1ccc(-c2ccccc2)cc1- InChIKey
PRABNDOFJAIZJF-UHFFFAOYSA-N- Molecular formula
- C22H21IO5
- Average molar mass
- 492.3 g/mol
- Monoisotopic mass
- 492.04337
Names & identifiers
- Preferred name
- 6-Iodo-4-(methoxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
- IUPAC
- [6-iodo-4-(methoxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
Names & synonyms
38361-03-4NSC166192DTXSID40304539NSC-1661926-Iodo-4-(methoxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
Database identifiers
- CAS
38361-03-4- PubChem CID
- 296249
- DTXSID
DTXSID40304539
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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