(1S,3R,7S)-1,3-dimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,7-diol
PubChem CID: 5318707
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 68.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 259.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,3R,7S)-1,3-dimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C11H20O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YBCFURRNWBFVNX-KXMRTTNKSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.19 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.471 |
| Compound Name | (1S,3R,7S)-1,3-dimethoxy-7-methyl-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-5,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.131 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 232.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0473111999999998 |
| Inchi | InChI=1S/C11H20O5/c1-11(13)5-7(12)6-4-8(14-2)16-10(15-3)9(6)11/h6-10,12-13H,4-5H2,1-3H3/t6?,7?,8-,9?,10+,11+/m1/s1 |
| Smiles | C[C@@]1(CC(C2C1[C@H](O[C@H](C2)OC)OC)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients