2,6-dihydroxy-4-methoxy-3-methyl-5-[(2R)-2-methylbutanoyl]benzaldehyde
PubChem CID: 162944434
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| Topological Polar Surface Area | 83.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2,6-dihydroxy-4-methoxy-3-methyl-5-[(2R)-2-methylbutanoyl]benzaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C14H18O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CCYKGGNUSJBVDG-SSDOTTSWSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -3.877 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.791 |
| Compound Name | 2,6-dihydroxy-4-methoxy-3-methyl-5-[(2R)-2-methylbutanoyl]benzaldehyde |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 266.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 266.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4107008105263157 |
| Inchi | InChI=1S/C14H18O5/c1-5-7(2)11(16)10-13(18)9(6-15)12(17)8(3)14(10)19-4/h6-7,17-18H,5H2,1-4H3/t7-/m1/s1 |
| Smiles | CC[C@@H](C)C(=O)C1=C(C(=C(C(=C1O)C=O)O)C)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mammea Americana (Plant) Rel Props:Source_db:cmaup_ingredients