Basic information
- CAS
70281-34-4- Standard SMILES
O=C1CCC[C@]2(O)[C@@H]3C[C@H](CN12)[C@@H]1CCCCN1C3O- InChIKey
PTFRBUWXBPHPNY-QLJAOJPDSA-N- Molecular formula
- C15H24N2O3
- Average molar mass
- 280.36 g/mol
- Monoisotopic mass
- 280.17869263
Names & identifiers
- Preferred name
- Dihydroxylupanine
- IUPAC
- (1R,2S,9R,10S)-2,16-dihydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
Names & synonyms
70281-34-4Dihydroxylupanine6,17-Dihydroxyspartein-2-oneDTXSID809904907,14-Methano-4H,6H-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one, dodecahydrodihydroxy-, (7alpha,7abeta,14alpha,14aalpha)-6,17-Dihydroxy-7alpha,9alpha-spartein-2-one
Database identifiers
- CAS
70281-34-4- PubChem CID
- 155367
- DTXSID
DTXSID80990490
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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