- InChI
- InChI=1S/C20H33NO7/c1-6-12(2)18(23)28-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(5,25)13(3)27-14(4)22/h12-13,15-17,25H,6-11H2,1-5H3/t12?,13-,15+,16+,17?,20-/m1/s1
- InChI Key
- QSDVUZIHMDWHEK-SRMJLOKFSA-N
- Formula
- C20H33NO7
- SMILES
-
CCC(C)C(=O)OC1CCN2CCC(COC(=O)C
(C)(O)C(C)OC(C)=O)C12 - Molecular Weight1
- 399.48
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.37 | Crippen Calculated Property | |
| logPoct/wat | 1.284 | Crippen Calculated Property | |
| McVol | 309.110 | ml/mol | McGowan Calculated Property |
| Inp | [2426.00; 2426.00] |
|
|
| Inp | 2426.00 | NIST | |
| Inp | 2426.00 | NIST |
Similar Compounds
Find more compounds similar to Ipanguline C2.
Sources
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