[(12S,13R)-16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-yl]methanol
Basic information
- CAS
78987-02-7- Standard SMILES
COc1cc2c(cc1OC)[C@H]1[C@@H](CO)c3ccc4c(c3CN1CC2)OCO4- InChIKey
QDPATENPRXQNAO-JXFKEZNVSA-N- Molecular formula
- C21H23NO5
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.15762283
Names & identifiers
- Preferred name
- [(12S,13R)-16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-yl]methanol
- IUPAC
- [(12S,13R)-16,17-dimethoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-yl]methanol
Names & synonyms
78987-02-7AC1L7GYXDTXSID00319301NSC343650NSC-343650[(6S,6aR)-8,9-Dimethoxy-6,11,12,14-tetrahydro-2H,6aH-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-6-yl]methanol
Database identifiers
- CAS
78987-02-7- PubChem CID
- 335204
- DTXSID
DTXSID00319301
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…