Basic information
- Standard SMILES
OB(O)c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O- InChIKey
PPMHUORPINUVOS-BLLLJJGKSA-N- Molecular formula
- C16H17BO4
- Average molar mass
- 284.1 g/mol
Names & identifiers
- Preferred name
- (3S,4R)-(3-benzyl-4-hydroxy-chroman-7-yl)-boronic acid
- IUPAC
- [(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]boronic acid
Names & synonyms
SCHEMBL7000416PPMHUORPINUVOS-BLLLJJGKSA-N(3S, 4R)-(3-benzyl-4-hydroxy-chroman-7-yl)-boronic acid(3S,4R)-(3-benzyl-4-hydroxy-chroman-7-yl)-boronic acid
Database identifiers
- PubChem CID
- 11044276
- Nikkaji
- J1.358.569E
Properties
Computed structural properties
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 332
Related reactions
4 records
Compound notes
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