(4S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
PubChem CID: 5315925
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| Topological Polar Surface Area | 58.9 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 232.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | -0.8 |
| Molecular Formula | C9H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JEOPUSJCPYFSMM-IOXKEGPVSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.379 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.372 |
| Compound Name | (4S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 186.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 186.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 186.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.5093833999999997 |
| Inchi | InChI=1S/C9H14O4/c10-6-3-5-1-2-12-8-7(5)9(6,11)4-13-8/h5-8,10-11H,1-4H2/t5-,6?,7+,8?,9-/m0/s1 |
| Smiles | C1COC2[C@H]3[C@@H]1CC([C@]3(CO2)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cistanche Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients