- InChI
- InChI=1S/C26H37NO7/c1-5-17(2)24(29)33-18(3)26(4,31)25(30)32-16-20-11-13-27-14-12-21(23(20)27)34-22(28)15-19-9-7-6-8-10-19/h6-10,17-18,20-21,23,31H,5,11-16H2,1-4H3/t17?,18-,20+,21+,23?,26-/m1/s1
- InChI Key
- WZILNEZKTCHCAY-NATNDXTASA-N
- Formula
- C26H37NO7
- SMILES
-
CCC(C)C(=O)OC(C)C(C)(O)C(=O)OC
C1CCN2CCC(OC(=O)Cc3ccccc3)C12 - Molecular Weight1
- 475.57
- 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 | -3.98 | Crippen Calculated Property | |
| logPoct/wat | 2.507 | Crippen Calculated Property | |
| McVol | 369.890 | ml/mol | McGowan Calculated Property |
| Inp | [2985.00; 2985.00] |
|
|
| Inp | 2985.00 | NIST | |
| Inp | 2985.00 | NIST | |
| Inp | 2985.00 | NIST |
Similar Compounds
Find more compounds similar to Ipanguline A4.
Sources
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