Dimethyl 8,8-dimethyl-2,5,5-triphenyl-5,8-dihydro-2H,3H-8lambda(5)-(1,2)azaphospholo(2,1-b)(1,3,2)oxazaphosphole-6,7-dicarboxylate
Basic information
- CAS
71236-79-8- Standard SMILES
COC(=O)C1=C(C(=O)OC)P2(C)(C)OC(c3ccccc3)CN2C1(c1ccccc1)c1ccccc1- InChIKey
YYBTVVACBKMPNG-UHFFFAOYSA-N- Molecular formula
- C29H30NO5P
- Average molar mass
- 503.5 g/mol
- Monoisotopic mass
- 503.18616006
Names & identifiers
- Preferred name
- Dimethyl 8,8-dimethyl-2,5,5-triphenyl-5,8-dihydro-2H,3H-8lambda(5)-(1,2)azaphospholo(2,1-b)(1,3,2)oxazaphosphole-6,7-dicarboxylate
- IUPAC
- dimethyl 1,1-dimethyl-3,6,6-triphenyl-2-oxa-5-aza-1λ5-phosphabicyclo[3.3.0]oct-7-ene-7,8-dicarboxylate
Names & synonyms
NSC33638271236-79-8NSC 336382Dimethyl 8,8-dimethyl-2,5,5-triphenyl-5,8-dihydro-2H,3H-8lambda(5)-(1,2)azaphospholo(2,1-b)(1,3,2)oxazaphosphole-6,7-dicarboxylateNSC-336382dimethyl 5,5-dimethyl-2,2,7-triphenyl-6-oxa-1-aza-5$l^{5}-phosphabicyclo[3.3.0]oct-3-ene-3,4-dicarboxylateDimethyl 8,8-dimethyl-2,5,5-triphenyl-5,8-dihydro-2H,3H-8.lambda.~5~-[1,2]azaphospholo[2,1-b][1,3,2]oxazaphosphole-6,7-dicarboxylate
Database identifiers
- CAS
71236-79-8- PubChem CID
- 333665
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 877
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