[(2R)-2,3-dihydroxypropyl] octacosanoate
PubChem CID: 163065461
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-2,3-dihydroxypropyl] octacosanoate |
| Prediction Hob | 0.0 |
| Xlogp | 12.8 |
| Molecular Formula | C31H62O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BQMPZRKQANYIQU-SSEXGKCCSA-N |
| Fcsp3 | 0.967741935483871 |
| Logs | -6.81 |
| Rotatable Bond Count | 30.0 |
| Logd | 4.452 |
| Compound Name | [(2R)-2,3-dihydroxypropyl] octacosanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 498.465 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 498.465 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 498.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.035664600000002 |
| Inchi | InChI=1S/C31H62O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31(34)35-29-30(33)28-32/h30,32-33H,2-29H2,1H3/t30-/m1/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Salicina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Achillea Wilhelmsii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Backhousia Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Blighia Welwitschii (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Cunninghamia Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Juniperus Ashei (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Kalanchoe Blossfeldiana (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Sassafras Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Tanacetum Nubigenum (Plant) Rel Props:Source_db:cmaup_ingredients