(8S,10S)-2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol
PubChem CID: 5318706
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| Topological Polar Surface Area | 80.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 310.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (8S,10S)-2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol |
| Prediction Hob | 1.0 |
| Xlogp | -1.2 |
| Molecular Formula | C11H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BVYJKUKAFKCKMT-UIJSOKBXSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.031 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.17 |
| Compound Name | (8S,10S)-2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.02,4]decan-5-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 246.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4128057999999997 |
| Inchi | InChI=1S/C11H18O6/c1-14-6-3-5-7(10(15-2)16-6)11(4-12)9(17-11)8(5)13/h5-10,12-13H,3-4H2,1-2H3/t5?,6-,7?,8?,9?,10-,11?/m0/s1 |
| Smiles | CO[C@@H]1CC2C([C@H](O1)OC)C3(C(C2O)O3)CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients