Basic information
- CAS
53912-90-6- Standard SMILES
O=C1c2cc3c(cc2[C@@H]2C=C[C@@H](O)[C@H]4CCN1[C@H]42)OCO3- InChIKey
PSZHRDURVOVCLV-NQJNJHLISA-N- Molecular formula
- C16H15NO4
- Average molar mass
- 285.29 g/mol
- Monoisotopic mass
- 285.10010796
Names & identifiers
- Preferred name
- rel-(3R,3aS,12bS,12cS)-3,3a,4,5,12b,12c-Hexahydro-3-hydroxy-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one
- IUPAC
- (1S,15S,16R,19S)-16-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,17-tetraen-11-one
Names & synonyms
DTXSID50110570153912-90-6rel-(3R,3aS,12bS,12cS)-3,3a,4,5,12b,12c-Hexahydro-3-hydroxy-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one
Database identifiers
- CAS
53912-90-6- PubChem CID
- 165367129
- DTXSID
DTXSID501105701
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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