Phenylmethyl 3-bromo-4-[(3-bromo-6-hydroxy-4-methoxy-2,5-dimethylbenzoyl)oxy]-6-hydroxy-2,5-dimethylbenzoate
Basic information
- CAS
56526-91-1- Standard SMILES
COc1c(C)c(O)c(C(=O)Oc2c(C)c(O)c(C(=O)OCc3ccccc3)c(C)c2Br)c(C)c1Br- InChIKey
LXMOZNONOGFXER-UHFFFAOYSA-N- Molecular formula
- C26H24Br2O7
- Average molar mass
- 608.3 g/mol
- Monoisotopic mass
- 605.98888
Names & identifiers
- Preferred name
- Phenylmethyl 3-bromo-4-[(3-bromo-6-hydroxy-4-methoxy-2,5-dimethylbenzoyl)oxy]-6-hydroxy-2,5-dimethylbenzoate
- IUPAC
- (2-bromo-5-hydroxy-3,6-dimethyl-4-phenylmethoxycarbonylphenyl) 5-bromo-2-hydroxy-4-methoxy-3,6-dimethylbenzoate
Names & synonyms
DTXSID60110906356526-91-1Phenylmethyl 3-bromo-4-[(3-bromo-6-hydroxy-4-methoxy-2,5-dimethylbenzoyl)oxy]-6-hydroxy-2,5-dimethylbenzoate
Database identifiers
- CAS
56526-91-1- PubChem CID
- 165367472
- DTXSID
DTXSID601109063
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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