1,2,4,5,6,7-Hexahydroxyheptan-3-one
PubChem CID: 5316068
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL23728425 |
|---|---|
| Topological Polar Surface Area | 138.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,4,5,6,7-hexahydroxyheptan-3-one |
| Prediction Hob | 0.0 |
| Xlogp | -3.9 |
| Molecular Formula | C7H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | INYHXAFWZQXELF-UHFFFAOYSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | 0.161 |
| Rotatable Bond Count | 6.0 |
| Logd | -2.492 |
| Compound Name | 1,2,4,5,6,7-Hexahydroxyheptan-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 210.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 1.7035716 |
| Inchi | InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-5,7-12,14H,1-2H2 |
| Smiles | C(C(C(C(C(=O)C(CO)O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aleurites Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Coriaria Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phyllanthus Emblica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Ricinus Communis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Triadica Sebifera (Plant) Rel Props:Source_db:cmaup_ingredients