Basic information
- CAS
72502-78-4- Standard SMILES
COC(=O)C1=C(C(=O)OC)P2(C)(C)ON(c3ccccc3)C(C(=O)c3ccccc3)N2C1(c1ccccc1)c1ccccc1- InChIKey
NKXZCKZQVFQIFJ-UHFFFAOYSA-N- Molecular formula
- C35H33N2O6P
- Average molar mass
- 608.6 g/mol
- Monoisotopic mass
- 608.20762377
Names & identifiers
- Preferred name
- Dimethyl 4-benzoyl-1,1-dimethyl-3,6,6-triphenyl-2-oxa-3,5-diaza-1lambda5-phosphabicyclo[3.3.0]oct-7-ene-7,8-dicarboxylate
- IUPAC
- dimethyl 4-benzoyl-1,1-dimethyl-3,6,6-triphenyl-2-oxa-3,5-diaza-1λ5-phosphabicyclo[3.3.0]oct-7-ene-7,8-dicarboxylate
Names & synonyms
NSC35515572502-78-4DTXSID00320114NSC-355155Dimethyl 3-benzoyl-8,8-dimethyl-2,5,5-triphenyl-2,3,5,8-tetrahydro-8lambda~5~-[1,2]azaphospholo[2,1-b][1,3,5,2]oxadiazaphosphole-6,7-dicarboxylate
Database identifiers
- CAS
72502-78-4- PubChem CID
- 337382
- DTXSID
DTXSID00320114
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,130
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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