1-(3,4,5-Trimethoxyphenyl)propane-1,2,3-triol
PubChem CID: 74033649
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| Topological Polar Surface Area | 88.4 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 223.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(3,4,5-trimethoxyphenyl)propane-1,2,3-triol |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C12H18O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OGXMEGPAYOEFDT-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.797 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.231 |
| Compound Name | 1-(3,4,5-Trimethoxyphenyl)propane-1,2,3-triol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 258.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0903406666666666 |
| Inchi | InChI=1S/C12H18O6/c1-16-9-4-7(11(15)8(14)6-13)5-10(17-2)12(9)18-3/h4-5,8,11,13-15H,6H2,1-3H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)C(C(CO)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients