Dimethyl 1,1-dimethyl-6,6-diphenyl-4-(2,4,6-trimethylphenyl)-2-oxa-3,5-diaza-1lambda5-phosphabicyclo[3.3.0]octa-3,7-diene-7,8-dicarboxylate
Basic information
- CAS
72502-66-0- Standard SMILES
COC(=O)C1=C(C(=O)OC)P2(C)(C)ON=C(c3c(C)cc(C)cc3C)N2C1(c1ccccc1)c1ccccc1- InChIKey
JRWGAQHTVOYILY-UHFFFAOYSA-N- Molecular formula
- C31H33N2O5P
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.21270916
Names & identifiers
- Preferred name
- Dimethyl 1,1-dimethyl-6,6-diphenyl-4-(2,4,6-trimethylphenyl)-2-oxa-3,5-diaza-1lambda5-phosphabicyclo[3.3.0]octa-3,7-diene-7,8-dicarboxylate
- IUPAC
- dimethyl 1,1-dimethyl-6,6-diphenyl-4-(2,4,6-trimethylphenyl)-2-oxa-3,5-diaza-1λ5-phosphabicyclo[3.3.0]octa-3,7-diene-7,8-dicarboxylate
Names & synonyms
NSC35515672502-66-0DTXSID60320115NSC-355156Dimethyl 8,8-dimethyl-5,5-diphenyl-3-(2,4,6-trimethylphenyl)-5,8-dihydro-8lambda~5~-[1,2]azaphospholo[2,1-b][1,3,5,2]oxadiazaphosphole-6,7-dicarboxylate
Database identifiers
- CAS
72502-66-0- PubChem CID
- 337383
- DTXSID
DTXSID60320115
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…