- InChI
- InChI=1S/C18H27NO7/c1-10-8-18(24,11(2)20)16(22)26-13-5-7-19-6-4-12(14(13)19)9-25-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3
- InChI Key
- FMWJEBGSMAOQNN-UHFFFAOYSA-N
- Formula
- C18H27NO7
- SMILES
-
CC1CC(O)(C(C)O)C(=O)OC2CCN3CC=
C(COC(=O)C1(C)O)C23 - Molecular Weight1
- 369.41
- CAS
- 480-76-2
- 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 | -1.30 | Crippen Calculated Property | |
| logPoct/wat | -0.642 | Crippen Calculated Property | |
| McVol | 270.070 | ml/mol | McGowan Calculated Property |
| Inp | [2485.00; 2535.00] |
|
|
| Inp | 2508.00 | NIST | |
| Inp | 2485.00 | NIST | |
| Inp | 2488.00 | NIST | |
| Inp | Outlier 2535.00 | NIST | |
| Inp | 2488.00 | NIST | |
| Inp | 2488.00 | NIST |
Similar Compounds
Find more compounds similar to Jacoline.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.