- InChI
- InChI=1S/C18H23NO7/c1-10-18(26-10)8-17(9-24-17)16(2,22)14(20)23-7-11-3-5-19-6-4-12(13(11)19)25-15(18)21/h3,10,12-13,22H,4-9H2,1-2H3/t10-,12+,13+,16-,17-,18-/m1/s1
- InChI Key
- LTFQUYMOUGXPEW-QWEHXZQISA-N
- Formula
- C18H23NO7
- SMILES
-
CC1OC12CC1(CO1)C(C)(O)C(=O)OCC
1=CCN3CCC(OC2=O)C13 - Molecular Weight1
- 365.38
- CAS
- 81855-31-4
- 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 | -1.09 | Crippen Calculated Property | |
| logPoct/wat | -0.463 | Crippen Calculated Property | |
| McVol | 248.350 | ml/mol | McGowan Calculated Property |
| Inp | 2618.00 | NIST |
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Sources
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