(1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (3R,4S,4aR)-
Basic information
- CAS
220751-83-7- Standard SMILES
O=C1N[C@@H]2C(=CC(O)[C@@H](O)[C@H]2O)c2cc3c(c(O)c21)OCO3- InChIKey
LZAZURSABQIKGB-DKTZCLJJSA-N- Molecular formula
- C14H13NO7
- Average molar mass
- 307.25 g/mol
- Monoisotopic mass
- 307.06920175
Names & identifiers
- Preferred name
- (1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (3R,4S,4aR)-
- IUPAC
- (3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Names & synonyms
220751-83-7(1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (3R,4S,4aR)-[1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (3R,4S,4aR)-SCHEMBL13804160DTXSID90944702(3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one(3R,4S,4aR)-2,3,4,4a-Tetrahydro-9H-[1,3]dioxolo[4,5-j]phenanthridine-2,3,4,6,7-pentol2,3,4,4a-Tetrahydro-9H-[1,3]dioxolo[4,5-j]phenanthridine-2,3,4,6,7-pentol
Database identifiers
- CAS
220751-83-7- PubChem CID
- 462159
- DTXSID
DTXSID90944702
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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