Basic information
- CAS
65745-83-7- Standard SMILES
O=C1OCCOCCOCCOCCOC(=O)c2cccc1c2- InChIKey
HZYZWGYPBXBALT-UHFFFAOYSA-N- Molecular formula
- C16H20O7
- Average molar mass
- 324.32 g/mol
- Monoisotopic mass
- 324.12090297
Names & identifiers
- Preferred name
- 3,6,9,12,15-Pentaoxabicyclo(15.3.1)henicosa-1(21),17,19-triene-2,16-dione
- IUPAC
- 3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione
- English name
- 3,6,9,12,15-Pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene-2,16-dione
- Molecular formula
- C16H20O7
- Molecular weight
- 324.33
Names & synonyms
65745-83-73,6,9,12,15-Pentaoxabicyclo(15.3.1)henicosa-1(21),17,19-triene-2,16-dione3,6,9,12,15-Pentaoxabicyclo[15.3.1]henicosa-1(21),17,19-triene-2,16-dione57XYR67LJFUNII-57XYR67LJFNSC 297861NSC-297861DTXSID10215946RefChem:91681DTXCID401384373,6,9,12,15-Pentaoxabicyclo[15.3.1]heneicosa-1(21),17,19-triene-2,16-dioneNSC297861
Show more names
3,6,9,12,15-Oxabicyclo(15,3)heneicosa-1(21),17,19-triene-2,16-dione3691215-Pentaoxabicyclo[15.3.1]heneicosa-1(21)1719-triene-216-dioneHZYZWGYPBXBALT-UHFFFAOYSA-NC16H20O7MFCD30474830F88598F8641803,6,9,12,15-PENTAOXA-1(1,3)-BENZENACYCLOHEXADECAPHANE-2,16-DIONE
Database identifiers
- CAS
65745-83-7- PubChem CID
- 326440
- DTXSID
DTXSID10215946- UNII
- 57XYR67LJF
- Nikkaji
- J1.242.917G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- FDA UNII
- 57 XYR67LJF · 57XYR67LJF
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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