Basic information
- CAS
746671-75-0- Standard SMILES
CO[C@H]1C=C[C@@]23c4cc5c(cc4C(O)N(C[C@H]2O)[C@H]3C1)OCO5- InChIKey
ZSTPNQLNQBRLQF-ZHOMMLDXSA-N- Molecular formula
- C17H19NO5
- Average molar mass
- 317.34 g/mol
- Monoisotopic mass
- 317.12632271
Names & identifiers
- Preferred name
- 3H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-6,12-diol, 4,4a-dihydro-3-methoxy-, (3R,4aS,5S,11bS,12S)-
- IUPAC
- (1S,13S,15R,18S)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
Names & synonyms
DTXSID1011090063H,6H-5,11b-Ethano[1,3]dioxolo[4,5-j]phenanthridine-6,12-diol, 4,4a-dihydro-3-methoxy-, (3R,4aS,5S,11bS,12S)-746671-75-0
Database identifiers
- CAS
746671-75-0- PubChem CID
- 165367463
- DTXSID
DTXSID101109006
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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