Basic information
- Standard SMILES
COC(=O)C(Cc1ccc(C(F)(F)P(=O)(OC(C)(C)C)OC(C)(C)C)cc1)(Cc1ccc(C(F)(F)P(=O)(OC(C)(C)C)OC(C)(C)C)cc1)C(=O)O- InChIKey
MBDXFDNTIIMEAY-UHFFFAOYSA-N- Molecular formula
- C36H52F4O10P2
- Average molar mass
- 782.7 g/mol
- Monoisotopic mass
- 782.29718449
Names & identifiers
- Preferred name
- 2,2-Di{4-[(di-tert-butoxyphosphoryl)(difluoro)methyl]benzyl}-3-methoxy-3-oxopropanoic acid
- IUPAC
- 2,2-bis[[4-[bis[(2-methylpropan-2-yl)oxy]phosphoryl-difluoromethyl]phenyl]methyl]-3-methoxy-3-oxopropanoic acid
Names & synonyms
2,2-Di{4-[(di-tert-butoxyphosphoryl)(difluoro)methyl]benzyl}-3-methoxy-3-oxopropanoic acidSCHEMBL69464622,2-di{4-[(di-tert-butoxyphosphoryl) (difluoro)methyl]benzyl}-3-methoxy-3-oxopropanoic acid
Database identifiers
- PubChem CID
- 21265729
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 19
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
3 records
Compound notes
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