4-{Bis[2-(diphenylphosphanyl)ethyl]carbamoyl}benzene-1,2-dicarboxylic acid
Basic information
- CAS
77462-00-1- Standard SMILES
O=C(O)c1ccc(C(=O)N(CCP(c2ccccc2)c2ccccc2)CCP(c2ccccc2)c2ccccc2)cc1C(=O)O- InChIKey
UBUUBOOCQUPKGU-UHFFFAOYSA-N- Molecular formula
- C37H33NO5P2
- Average molar mass
- 633.6 g/mol
- Monoisotopic mass
- 633.18339715
Names & identifiers
- Preferred name
- 4-{Bis[2-(diphenylphosphanyl)ethyl]carbamoyl}benzene-1,2-dicarboxylic acid
- IUPAC
- 4-[bis(2-diphenylphosphanylethyl)carbamoyl]phthalic acid
- English name
- 4-[bis(2-diphenylphosphanylethyl)carbamoyl]benzene-1,2-dicarboxylic ac id
- Molecular formula
- C37H33NO5P2
- Molecular weight
- 633.61
Names & synonyms
77462-00-14-(Bis(2-(diphenylphosphino)ethyl)carbamoyl)phthalic acid4-{Bis[2-(diphenylphosphanyl)ethyl]carbamoyl}benzene-1,2-dicarboxylic acid4-[bis(2-diphenylphosphanylethyl)carbamoyl]phthalic acidNSC312906SCHEMBL12313460DTXSID30317234NSC-3129064-[bis(2-diphenylphosphanylethyl)carbamoyl]benzene-1,2-dicarboxylic ac id1,2-Benzenedicarboxylic acid, 4-[[bis[2-(diphenylphosphino)ethyl]amino]carbonyl]-
Database identifiers
- CAS
77462-00-1- PubChem CID
- 329573
- DTXSID
DTXSID30317234
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 859
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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