- InChI
- InChI=1S/C20H33NO7/c1-12(2)20(26,13(3)22)18(24)27-11-14-6-8-21-9-7-15(17(14)21)28-16(23)10-19(4,5)25/h6,12-13,15,17,22,25-26H,7-11H2,1-5H3/t13?,15-,17-,20?/m0/s1
- InChI Key
- COXZBOZLTKZNDP-QWQDWOJRSA-N
- Formula
- C20H33NO7
- SMILES
-
CC(C)C(O)(C(=O)OCC1=CCN2CCC(OC
(=O)CC(C)(C)O)C12)C(C)O - Molecular Weight1
- 399.48
- 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 | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 0.385 | Crippen Calculated Property | |
| McVol | 309.110 | ml/mol | McGowan Calculated Property |
| Inp | [2569.00; 2569.00] |
|
|
| Inp | 2569.00 | NIST | |
| Inp | 2569.00 | NIST |
Similar Compounds
Find more compounds similar to 7-Hydroxyisovaleroyl-9-viridifloryl-retronecine.
Sources
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