- InChI
- InChI=1S/C17H27NO7/c1-10(24-11(2)19)17(4,25-12(3)20)16(22)23-9-13-5-7-18-8-6-14(21)15(13)18/h10,13-15,21H,5-9H2,1-4H3/t10?,13-,14-,15?,17?/m0/s1
- InChI Key
- ZFNBQBCMFVRFDH-BQGRYJDESA-N
- Formula
- C17H27NO7
- SMILES
-
CC(=O)OC(C)C(C)(OC(C)=O)C(=O)O
CC1CCN2CCC(O)C12 - Molecular Weight1
- 357.40
- 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 | -1.35 | Crippen Calculated Property | |
| logPoct/wat | 0.258 | Crippen Calculated Property | |
| McVol | 266.840 | ml/mol | McGowan Calculated Property |
| Inp | 2246.00 | NIST |
Similar Compounds
Find more compounds similar to Isoipanguline D9.
Sources
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