(4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione
PubChem CID: 162962850
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| Topological Polar Surface Area | 83.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 250.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C10H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YVRSFHGCOSYPMO-FJXKBIBVSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.108 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.011 |
| Compound Name | (4S,8S,10R)-4,8-dihydroxy-10-methyloxecane-2,7-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 216.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8530445999999998 |
| Inchi | InChI=1S/C10H16O5/c1-6-4-9(13)8(12)3-2-7(11)5-10(14)15-6/h6-7,9,11,13H,2-5H2,1H3/t6-,7+,9+/m1/s1 |
| Smiles | C[C@@H]1C[C@@H](C(=O)CC[C@@H](CC(=O)O1)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dicentra Cucullaria (Plant) Rel Props:Source_db:cmaup_ingredients