[(2R)-2,3-dihydroxypropyl] 16-hydroxyhexadecanoate
PubChem CID: 154495973
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL25355124 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | PCVWTHIOXJUGMM-GOSISDBHSA-N |
| Fcsp3 | 0.9473684210526316 |
| Rotatable Bond Count | 19.0 |
| Heavy Atom Count | 24.0 |
| Compound Name | [(2R)-2,3-dihydroxypropyl] 16-hydroxyhexadecanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 346.272 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 346.272 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 270.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 346.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(2R)-2,3-dihydroxypropyl] 16-hydroxyhexadecanoate |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -3.7205496000000013 |
| Inchi | InChI=1S/C19H38O5/c20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19(23)24-17-18(22)16-21/h18,20-22H,1-17H2/t18-/m1/s1 |
| Smiles | C(CCCCCCCC(=O)OC[C@@H](CO)O)CCCCCCCO |
| Xlogp | 4.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C19H38O5 |
- 1. Outgoing r'ship
FOUND_INto/from Alnus Cordata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Deltoideodonta (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bauhinia Purpurea (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Crinum Latifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Leitneria Floridana (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Notholaena Aschenborniana (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Thermopsis Mollis (Plant) Rel Props:Source_db:cmaup_ingredients