Levonorgestrel hexanediol
Basic information
- CAS
117635-13-9- Standard SMILES
C#CC1(OC(=O)OCCCCC(O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CCC21CC- InChIKey
UMZNBOOKVZRQNB-NCZDIDPRSA-N- Molecular formula
- C28H40O6
- Average molar mass
- 472.6 g/mol
- Monoisotopic mass
- 472.28248899
Names & identifiers
- Preferred name
- Levonorgestrel hexanediol
- IUPAC
- 5,6-dihydroxyhexyl [(8R,9S,10R,14S)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] carbonate
Names & synonyms
Levonorgestrel hexanediol117635-13-918,19-Dinorpregn-4-en-20-yn-3-one, 17-((((5,6-dihydroxyhexyl)oxy)carbonyl)oxy)-13-ethyl-, (17alpha)-
Database identifiers
- CAS
117635-13-9- PubChem CID
- 189504
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 854
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…