3,6,9,12,15,18,21-Heptaoxa-27-azabicyclo(21.3.1)heptacosa-1(27),23,25-triene-2,22-dione
Basic information
- CAS
68436-53-3- Standard SMILES
O=C1OCCOCCOCCOCCOCCOCCOC(=O)c2cccc1n2- InChIKey
GXVCDVRALIXBEW-UHFFFAOYSA-N- Molecular formula
- C19H27NO9
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.16858144
Names & identifiers
- Preferred name
- 3,6,9,12,15,18,21-Heptaoxa-27-azabicyclo(21.3.1)heptacosa-1(27),23,25-triene-2,22-dione
- IUPAC
- 3,6,9,12,15,18,21-heptaoxa-27-azabicyclo[21.3.1]heptacosa-1(27),23,25-triene-2,22-dione
- English name
- Cyclo(hexaethyleneglycol 2,6-pyridinedicarboxylate)
- Molecular formula
- C19H27NO9
- Molecular weight
- 413.42
Names & synonyms
68436-53-33,6,9,12,15,18,21-Heptaoxa-27-azabicyclo(21.3.1)heptacosa-1(27),23,25-triene-2,22-dioneNSC297850NSC 2978503,6,9,12,15,18,21-Heptaoxa-27-azabicyclo[21.3.1]heptacosa-1(27),23,25-triene-2,22-dioneDTXSID00218562NSC-297850Cyclo(hexaethyleneglycol 2,6-pyridinedicarboxylate)
Database identifiers
- CAS
68436-53-3- PubChem CID
- 326429
- DTXSID
DTXSID00218562
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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