(1R,2R)-1-[2,5-dihydroxy-4-(2-methylbut-3-en-2-yl)phenyl]-3-methylbutane-1,2,3-triol
PubChem CID: 163074870
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| Topological Polar Surface Area | 101.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,2R)-1-[2,5-dihydroxy-4-(2-methylbut-3-en-2-yl)phenyl]-3-methylbutane-1,2,3-triol |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C16H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SLKADURYZNKIRG-ZIAGYGMSSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.472 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.442 |
| Compound Name | (1R,2R)-1-[2,5-dihydroxy-4-(2-methylbut-3-en-2-yl)phenyl]-3-methylbutane-1,2,3-triol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 296.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 296.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9259791714285712 |
| Inchi | InChI=1S/C16H24O5/c1-6-15(2,3)10-8-11(17)9(7-12(10)18)13(19)14(20)16(4,5)21/h6-8,13-14,17-21H,1H2,2-5H3/t13-,14-/m1/s1 |
| Smiles | CC(C)(C=C)C1=C(C=C(C(=C1)O)[C@H]([C@H](C(C)(C)O)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhynchotechum Vestitum (Plant) Rel Props:Source_db:cmaup_ingredients