(1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
PubChem CID: 102153621
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 68.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | -1.2 |
| Molecular Formula | C10H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OKLIAPLLOUMEOG-TYKPCOJTSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.625 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.817 |
| Compound Name | (1R,4S,5R,6S,7R,11S)-6-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol |
| 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 | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.35234460000000006 |
| Inchi | InChI=1S/C10H16O5/c1-13-7-5-2-3-14-9-6(5)10(12,4-15-9)8(7)11/h5-9,11-12H,2-4H2,1H3/t5-,6-,7+,8-,9-,10-/m1/s1 |
| Smiles | CO[C@H]1[C@@H]2CCO[C@H]3[C@@H]2[C@@]([C@@H]1O)(CO3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scrophularia Ningpoensis (Plant) Rel Props:Source_db:cmaup_ingredients