Pyridine, 3,3'-(2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diyl)bis-
Basic information
- CAS
59426-31-2- Standard SMILES
c1cncc(C2OCC3(CO2)COC(c2cccnc2)OC3)c1- InChIKey
MMWCTODJHSJKPN-UHFFFAOYSA-N- Molecular formula
- C17H18N2O4
- Average molar mass
- 314.34 g/mol
- Monoisotopic mass
- 314.12665706
Names & identifiers
- Preferred name
- Pyridine, 3,3'-(2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diyl)bis-
- IUPAC
- 3-(3-pyridin-3-yl-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl)pyridine
Names & synonyms
59426-31-2Pyridine, 3,3'-(2,4,8,10-tetraoxaspiro(5.5)undecane-3,9-diyl)bis-RefChem:3766543,3'-(2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-diyl)dipyridine3-[9-(3-pyridinyl)-2,4,8,10-tetraoxaspiro[5.5]undec-3-yl]pyridineChemDiv3_001329Oprea1_205103Oprea1_628445MLS000718273CHEMBL1470929DTXSID40974832MMWCTODJHSJKPN-UHFFFAOYSA-N
Show more names
HMS1476M09HMS2671K06STK0058463-[9-(Pyridin-3-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]pyridineAKOS000663793IDI1_020295NCGC00172771-01SMR000290541
Database identifiers
- CAS
59426-31-2- PubChem CID
- 764115
- DTXSID
DTXSID40974832- ChEMBL
CHEMBL1470929
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 339
Experimental & physicochemical properties
Solubility>47.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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