(E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide
PubChem CID: 162925995
Connections displayed (default: 10).
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| Topological Polar Surface Area | 69.6 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 251.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C14H27NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GKAGMQMUZOEEEM-TYDXBBDOSA-N |
| Fcsp3 | 0.7857142857142857 |
| Logs | -2.861 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.543 |
| Compound Name | (E,4S,5S)-4,5-dihydroxy-N-(2-methylpropyl)dec-2-enamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 257.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 257.199 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 257.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.4545188 |
| Inchi | InChI=1S/C14H27NO3/c1-4-5-6-7-12(16)13(17)8-9-14(18)15-10-11(2)3/h8-9,11-13,16-17H,4-7,10H2,1-3H3,(H,15,18)/b9-8+/t12-,13-/m0/s1 |
| Smiles | CCCCC[C@@H]([C@H](/C=C/C(=O)NCC(C)C)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bellardia Viscosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dryopteris Arguta (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hippocrepis Emerus (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Kopsia Lapidilecta (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Pinus Aristata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Plenckia Populnea (Plant) Rel Props:Source_db:cmaup_ingredients