3-(benzoyloxy)-6-[(benzoyloxy)methyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-5-(sulfooxy)tetrahydro-2H-pyran-4-yl benzoate
Basic information
- CAS
1008253-91-5- Standard SMILES
Cc1cc(=O)oc2cc(OC3OC(COC(=O)c4ccccc4)C(OS(=O)(=O)O)C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)ccc12- InChIKey
QITKEEPRPKDMMO-UHFFFAOYSA-N- Molecular formula
- C37H30O14S
- Average molar mass
- 730.7 g/mol
Names & identifiers
- Preferred name
- 3-(benzoyloxy)-6-[(benzoyloxy)methyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-5-(sulfooxy)tetrahydro-2H-pyran-4-yl benzoate
- IUPAC
- [4,5-dibenzoyloxy-6-(4-methyl-2-oxochromen-7-yl)oxy-3-sulfooxyoxan-2-yl]methyl benzoate
- English name
- 3-(benzoyloxy)-6-[(benzoyloxy)methyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-5-(sulfooxy)tetrahydro-2H-pyran-4-yl benzoate
- Molecular formula
- C37H30O14S
- Molecular weight
- 730.6907
Names & synonyms
3-(benzoyloxy)-6-[(benzoyloxy)methyl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-5-(sulfooxy)tetrahydro-2H-pyran-4-yl benzoateAKOS040740350AG-205/21054015
Database identifiers
- CAS
1008253-91-5
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 14
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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