- InChI
- InChI=1S/C23H37NO7/c1-13(2)17-10-19(25)29-12-16-6-8-24-9-7-18(21(16)24)31-22(27)23(28,14(3)4)11-20(26)30-15(17)5/h13-18,21,28H,6-12H2,1-5H3/t15-,16+,17+,18+,21?,23-/m0/s1
- InChI Key
- IWRWQFWNXAFSBO-SMKAEANXSA-N
- Formula
- C23H37NO7
- SMILES
-
CC(C)C1CC(=O)OCC2CCN3CCC(OC(=O
)C(O)(C(C)C)CC(=O)OC1C)C23 - Molecular Weight1
- 439.54
- 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 | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 1.920 | Crippen Calculated Property | |
| McVol | 340.520 | ml/mol | McGowan Calculated Property |
| Inp | 2818.00 | NIST |
Similar Compounds
Find more compounds similar to Parsonsine.
Sources
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