(2R)-1,2-bis(3,4-dihydroxyphenyl)-3-hydroxypropan-1-one
PubChem CID: 163083521
Connections displayed (default: 10).
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| Topological Polar Surface Area | 118.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2R)-1,2-bis(3,4-dihydroxyphenyl)-3-hydroxypropan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C15H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KNFBTTLFJUCUIB-JTQLQIEISA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.828 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.485 |
| Compound Name | (2R)-1,2-bis(3,4-dihydroxyphenyl)-3-hydroxypropan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 290.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 290.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5104373428571423 |
| Inchi | InChI=1S/C15H14O6/c16-7-10(8-1-3-11(17)13(19)5-8)15(21)9-2-4-12(18)14(20)6-9/h1-6,10,16-20H,7H2/t10-/m0/s1 |
| Smiles | C1=CC(=C(C=C1[C@H](CO)C(=O)C2=CC(=C(C=C2)O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Feddei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Solanum Aculeatissimum (Plant) Rel Props:Source_db:cmaup_ingredients