Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1CC(CO)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1- InChIKey
RXDMOKBIFJVNSM-UHFFFAOYSA-N- Molecular formula
- C25H29NO7
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.19440226
Names & identifiers
- IUPAC
- [2-benzoyloxy-5-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] benzoate
Database identifiers
- PubChem CID
- 72353852
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 677
Related reactions
2 records
Compound notes
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