Insularinium, 2,2'-dimethyl-, diiodide
Basic information
- CAS
32434-10-9- Standard SMILES
COc1cc2c3c(c1OC)Oc1ccc(cc1)CC1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)CC3[N+](C)(C)CC2)CC[N+]1(C)C.[I-].[I-]- InChIKey
VLEJUPZBRNCDCU-UHFFFAOYSA-L- Molecular formula
- C40H46I2N2O6
- Average molar mass
- 904.6 g/mol
- Monoisotopic mass
- 904.14453
Names & identifiers
- Preferred name
- Insularinium, 2,2'-dimethyl-, diiodide
- IUPAC
- 9,10,26-trimethoxy-15,15,31,31-tetramethyl-7,24,34-trioxa-15,31-diazoniaoctacyclo[19.10.3.23,6.18,12.118,22.025,33.028,32.016,36]octatriaconta-3(38),4,6(37),8(36),9,11,18(35),19,21,25,27,32-dodecaene diiodide
Names & synonyms
INSULARINIUM, 2,2'-DIMETHYL-, DIIODIDE32434-10-9RefChem:10873922,2'-Dimethylinsularinium diiodideInsularine dimethiodide
Database identifiers
- CAS
32434-10-9- PubChem CID
- 36138
Properties
Computed structural properties
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,110
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