(E,2R,4R)-nonadec-6-ene-1,2,4-triol
PubChem CID: 56589794
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| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 241.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (E,2R,4R)-nonadec-6-ene-1,2,4-triol |
| Prediction Hob | 0.0 |
| Xlogp | 5.8 |
| Molecular Formula | C19H38O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YPZCQHSGCUITIP-WKWPXIAWSA-N |
| Fcsp3 | 0.8947368421052632 |
| Logs | -5.759 |
| Rotatable Bond Count | 16.0 |
| Logd | 3.57 |
| Compound Name | (E,2R,4R)-nonadec-6-ene-1,2,4-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 314.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.419461999999999 |
| Inchi | InChI=1S/C19H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)16-19(22)17-20/h13-14,18-22H,2-12,15-17H2,1H3/b14-13+/t18-,19-/m1/s1 |
| Smiles | CCCCCCCCCCCC/C=C/C[C@H](C[C@H](CO)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Ruspoliana (Plant) Rel Props:Source_db:cmaup_ingredients