Basic information
- Standard SMILES
CC(C)(C)OP(=O)(Oc1ccc(-c2ccc(CC[C@](C)(C(=O)O)S(C)(=O)=O)cc2)cc1)OC(C)(C)C- InChIKey
MRNIJBTYLBMYAN-AREMUKBSSA-N- Molecular formula
- C26H37O8PS
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.19467631
Names & identifiers
- Preferred name
- (2R)-4-{4'-[(Di-tert-butoxyphosphoryl)oxy]biphenyl-4-yl}-2-methyl-2-(methylsulfonyl)butanoic acid
- IUPAC
- (2R)-4-[4-[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]phenyl]phenyl]-2-methyl-2-methylsulfonylbutanoic acid
Names & synonyms
SCHEMBL5366MRNIJBTYLBMYAN-AREMUKBSSA-N(2R)-4-{4'-[(Di-tert-butoxyphosphoryl)oxy]biphenyl-4-yl}-2-methyl-2-(methylsulfonyl)butanoic acid
Database identifiers
- PubChem CID
- 66577853
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 862
Related reactions
2 records
Compound notes
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