(1S,2R,4R,5R,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decane-5,10-diol
PubChem CID: 163011592
Connections displayed (default: 10).
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| Topological Polar Surface Area | 82.5 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,2R,4R,5R,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decane-5,10-diol |
| Prediction Hob | 1.0 |
| Xlogp | -1.7 |
| Molecular Formula | C9H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MKKQRWZIDMUAHO-YQWDKWCMSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.013 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.72 |
| Compound Name | (1S,2R,4R,5R,6S,10S)-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]decane-5,10-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 202.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.07482280000000036 |
| Inchi | InChI=1S/C9H14O5/c10-3-9-5-4(1-2-13-8(5)12)6(11)7(9)14-9/h4-8,10-12H,1-3H2/t4-,5+,6+,7+,8-,9-/m0/s1 |
| Smiles | C1CO[C@@H]([C@H]2[C@H]1[C@H]([C@@H]3[C@]2(O3)CO)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pedicularis Striata (Plant) Rel Props:Source_db:cmaup_ingredients