- InChI
- InChI=1S/C25H33NO8/c1-16(32-17(2)27)25(4,34-18(3)28)24(30)31-15-20-10-12-26-13-11-21(23(20)26)33-22(29)14-19-8-6-5-7-9-19/h5-9,16,20-21,23H,10-15H2,1-4H3/t16-,20-,21-,23?,25+/m0/s1
- InChI Key
- ZKJDJIORHUYWFV-YDYQIIPMSA-N
- Formula
- C25H33NO8
- SMILES
-
CC(=O)OC(C)C(C)(OC(C)=O)C(=O)O
CC1CCN2CCC(OC(=O)Cc3ccccc3)C12 - Molecular Weight1
- 475.53
- 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 | -3.41 | Crippen Calculated Property | |
| logPoct/wat | 2.052 | Crippen Calculated Property | |
| McVol | 357.370 | ml/mol | McGowan Calculated Property |
| Inp | [2886.00; 2886.00] |
|
|
| Inp | 2886.00 | NIST | |
| Inp | 2886.00 | NIST | |
| Inp | 2886.00 | NIST |
Similar Compounds
Find more compounds similar to Isoipanguline A3.
Sources
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