Hexane-1,6-diyl dipyridine-3-sulfonate
Basic information
- CAS
74766-62-4- Standard SMILES
O=S(=O)(OCCCCCCOS(=O)(=O)c1cccnc1)c1cccnc1- InChIKey
XFIJOCMEIXFQIU-UHFFFAOYSA-N- Molecular formula
- C16H20N2O6S2
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.07627871
Names & identifiers
- Preferred name
- Hexane-1,6-diyl dipyridine-3-sulfonate
- IUPAC
- 6-pyridin-3-ylsulfonyloxyhexyl pyridine-3-sulfonate
Names & synonyms
74766-62-4NSC201251Hexane-1,6-diyl dipyridine-3-sulfonateDTXSID10307996NSC-201251
Database identifiers
- CAS
74766-62-4- PubChem CID
- 304672
- DTXSID
DTXSID10307996
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 543
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Related reactions
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Compound notes
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