Stability trends in carbocation intermediates stemming from germacrene A and hedycaryol
Naziha Tarannam, Prashant Kumar Gupta, Shani Zev and Dan Thomas Major
Beilstein J. Org. Chem. 2024, 20, 1189–1197.
https://doi.org/10.3762/bjoc.20.101
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C15H28O7P2 |
| Molecular Weight | 382.33 g/mol |
| Exact Mass | 382.1310 Da |
| InChI |
InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
|
| InChIKey |
VWFJDQUYCIWHTN-YFVJMOTDSA-N
|
| SMILES |
CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)C
|
| Number of Atoms | 52 |
| Number of H-Bond Acceptors | 7 |
| Number of H-Bond Donors | 3 |
| Atoms in the Largest π-System | 9 |
| XLogP | 1.9 |
