(1S,3S,4R,6S)-4,6-dimethoxycyclohexane-1,2,3,5-tetrol
PubChem CID: 10198192
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 99.4 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,3S,4R,6S)-4,6-dimethoxycyclohexane-1,2,3,5-tetrol |
| Prediction Hob | 1.0 |
| Xlogp | -2.6 |
| Molecular Formula | C8H16O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MMCIFJWGSIWJLP-TUMKVLATSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.22 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.087 |
| Compound Name | (1S,3S,4R,6S)-4,6-dimethoxycyclohexane-1,2,3,5-tetrol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 208.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.6579980000000002 |
| Inchi | InChI=1S/C8H16O6/c1-13-7-4(10)3(9)5(11)8(14-2)6(7)12/h3-12H,1-2H3/t3?,4-,5-,6?,7-,8+/m0/s1 |
| Smiles | CO[C@@H]1[C@H](C([C@@H]([C@@H](C1O)OC)O)O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Nigella Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Trachelospermum Jasminoides (Plant) Rel Props:Source_db:cmaup_ingredients