- InChI
- InChI=1S/C18H29NO6/c1-5-11(2)16(21)24-12(3)18(4,23)17(22)25-14-7-9-19-8-6-13(10-20)15(14)19/h5,12-15,20,23H,6-10H2,1-4H3/b11-5+/t12?,13-,14-,15?,18?/m0/s1
- InChI Key
- XHRLKHKWQGYBDW-LXQJWIEQSA-N
- Formula
- C18H29NO6
- SMILES
-
CC=C(C)C(=O)OC(C)C(C)(O)C(=O)O
C1CCN2CCC(CO)C12 - Molecular Weight1
- 355.43
- 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 | -2.03 | Crippen Calculated Property | |
| logPoct/wat | 0.634 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Inp | [2358.00; 2358.00] |
|
|
| Inp | 2358.00 | NIST | |
| Inp | 2358.00 | NIST | |
| Inp | 2358.00 | NIST |
Similar Compounds
Find more compounds similar to Ipanguline D13.
Sources
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