(10S)-nonacosane-1,10-diol
PubChem CID: 162846442
Connections displayed (default: 10).
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 305.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (10S)-nonacosane-1,10-diol |
| Prediction Hob | 0.0 |
| Xlogp | 12.4 |
| Molecular Formula | C29H60O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HMYFTPQNKKROFX-LJAQVGFWSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.981 |
| Rotatable Bond Count | 27.0 |
| Logd | 4.521 |
| Compound Name | (10S)-nonacosane-1,10-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.459 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.459 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 440.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.514741400000002 |
| Inchi | InChI=1S/C29H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-26-29(31)27-24-21-18-16-19-22-25-28-30/h29-31H,2-28H2,1H3/t29-/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCC[C@@H](CCCCCCCCCO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Microstigma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Chrozophora Prostrata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients