Structure Info
- Chemspace ID
- CSSS00132312181 (In-Stock Screening Compounds)
- MFCD
- MFCD21333593
- IUPAC Name
- (3R,4R)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
- Mol formula
- C21H22O6
- Mol weight
- 370 Da
- Catalog Number(s)
- AA00ELO2, AG00ELQU, AR00EMFU, ArZ-UP482194, BBP06209, CFN92254, CSC132312181, FS-7617, HY-N10798, LN02182819, T124612, Y3306073, ZX-CY003970
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.52
- Heavy atoms count
- 27
- Rotatable bond count
- 6
- Number of rings
- 4
- Carbon bond saturation, Fsp3
- 0.38
- Polar surface area (Å)
- 63
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00132312181
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