- InChI
- InChI=1S/C13H23NO5/c1-8(15)13(2,18)12(17)19-7-9-3-5-14-6-4-10(16)11(9)14/h8-11,15-16,18H,3-7H2,1-2H3/t8-,9+,10+,11?,13-/m1/s1
- InChI Key
- GWTMMYYKPSYPDW-LFEBVRLFSA-N
- Formula
- C13H23NO5
- SMILES
-
CC(O)C(C)(O)C(=O)OCC1CCN2CCC(O
)C12 - Molecular Weight1
- 273.33
- 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 | -0.48 | Crippen Calculated Property | |
| logPoct/wat | -0.883 | Crippen Calculated Property | |
| McVol | 207.340 | ml/mol | McGowan Calculated Property |
| Inp | [2037.00; 2037.00] |
|
|
| Inp | 2037.00 | NIST | |
| Inp | 2037.00 | NIST | |
| Inp | 2037.00 | NIST |
Similar Compounds
Find more compounds similar to Ipanguline D3.
Sources
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