- InChI
- InChI=1S/C15H25NO6/c1-9(22-10(2)17)15(3,20)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h9,11-13,18,20H,4-8H2,1-3H3/t9-,11-,12-,13?,15+/m0/s1
- InChI Key
- NWXBPCGWPSVFTO-MEUJRNAWSA-N
- Formula
- C15H25NO6
- SMILES
-
CC(=O)OC(C)C(C)(O)C(=O)OCC1CCN
2CCC(O)C12 - Molecular Weight1
- 315.36
- 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 | -0.92 | Crippen Calculated Property | |
| logPoct/wat | -0.313 | Crippen Calculated Property | |
| McVol | 237.090 | ml/mol | McGowan Calculated Property |
| Inp | [2108.00; 2108.00] |
|
|
| Inp | 2108.00 | NIST | |
| Inp | 2108.00 | NIST |
Similar Compounds
Find more compounds similar to Isoipanguline D5.
Sources
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