Basic information
- CAS
71622-31-6- Standard SMILES
OC1OCC2CC3c4cc5c(cc4CCN3CC21)OCO5- InChIKey
QCCJRPAOHIGWSI-UHFFFAOYSA-N- Molecular formula
- C16H19NO4
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.13140809
Names & identifiers
- Preferred name
- 5,7,17-Trioxa-13-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-2,4(8),9-trien-16-ol
- IUPAC
- 5,7,17-trioxa-13-azapentacyclo[11.7.0.02,10.04,8.015,19]icosa-2,4(8),9-trien-16-ol
Names & synonyms
NSC30546571622-31-6DTXSID70316645NSC-3054655,6,8a,9,11,11a,12,12a-Octahydro-2H,8H-[1,3]dioxolo[4,5-g]furo[3',4':4,5]pyrido[2,1-a]isoquinolin-9-ol
Database identifiers
- CAS
71622-31-6- PubChem CID
- 328041
- DTXSID
DTXSID70316645
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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