O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide
Basic information
- CAS
80531-03-9- Standard SMILES
C[N+](C)(C)C1=CC=CC(OP2OCCCO2)C1=O.[I-]- InChIKey
FWHKHRVHKXYOFT-UHFFFAOYSA-M- Molecular formula
- C12H19INO4P
- Average molar mass
- 399.16 g/mol
- Monoisotopic mass
- 399.00964
Overview
RN given refers to iodide
Names & identifiers
- Preferred name
- O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide
- IUPAC
- [5-(1,3,2-dioxaphosphinan-2-yloxy)-6-oxocyclohexa-1,3-dien-1-yl]-trimethylazanium iodide
- English name
- O-(3-(trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxide
- Molecular formula
- C12H19INO4P
- Molecular weight
- 399.161791
Names & synonyms
80531-03-9O-(3-(Trimethylammonium)phenyl)-1,3,2-dioxaphosphorinane 2-oxideRefChem:1670863-TDPITDPISCHEMBL29401184DTXSID801001304O-(3-(Trimethylammonio)phenyl)-1,3,2-dioxaphosphorinane 2-oxide iodide(m-((1,3,2-Dioxaphosphorinan-2-yl)oxy)phenyl)trimethylammonium iodide 2-oxide[5-(1,3,2-dioxaphosphinan-2-yloxy)-6-oxocyclohexa-1,3-dien-1-yl]-trimethylazanium;iodideAmmonium, (m-((1,3,2-dioxaphosphorinan-2-yl)oxy)phenyl)trimethyl-, iodide, 2-oxide5-[(1,3,2-Dioxaphosphinan-2-yl)oxy]-N,N,N-trimethyl-6-oxocyclohexa-1,3-dien-1-aminium iodide
Database identifiers
- CAS
80531-03-9- PubChem CID
- 133496
- DTXSID
DTXSID801001304
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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