(2Z,5R,6E,10R)-3-(hydroxymethyl)-7,11-dimethyldodeca-2,6,11-triene-1,5,10-triol
PubChem CID: 163024819
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| Topological Polar Surface Area | 80.9 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2Z,5R,6E,10R)-3-(hydroxymethyl)-7,11-dimethyldodeca-2,6,11-triene-1,5,10-triol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C15H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WMKMOCFUIGOIHI-NIINRLPVSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.456 |
| Rotatable Bond Count | 9.0 |
| Logd | -0.346 |
| Compound Name | (2Z,5R,6E,10R)-3-(hydroxymethyl)-7,11-dimethyldodeca-2,6,11-triene-1,5,10-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 270.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -1.8105877999999997 |
| Inchi | InChI=1S/C15H26O4/c1-11(2)15(19)5-4-12(3)8-14(18)9-13(10-17)6-7-16/h6,8,14-19H,1,4-5,7,9-10H2,2-3H3/b12-8+,13-6-/t14-,15+/m0/s1 |
| Smiles | CC(=C)[C@@H](CC/C(=C/[C@@H](C/C(=C/CO)/CO)O)/C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pyrrosia Davidii (Plant) Rel Props:Source_db:cmaup_ingredients