6,21-Nonacosanediol
PubChem CID: 5320189
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| Compound Synonyms | 6,21-Nonacosanediol, 96850-31-6, DTXSID80415774, Nonacosanediol-6,21, DTXCID50366623 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonacosane-6,21-diol |
| Prediction Hob | 0.0 |
| Xlogp | 12.1 |
| Molecular Formula | C29H60O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CTMPSTSOUDNRQN-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.773 |
| Rotatable Bond Count | 26.0 |
| Logd | 2.485 |
| Compound Name | 6,21-Nonacosanediol |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.498841400000003 |
| Inchi | InChI=1S/C29H60O2/c1-3-5-7-8-17-21-26-29(31)27-23-19-16-14-12-10-9-11-13-15-18-22-25-28(30)24-20-6-4-2/h28-31H,3-27H2,1-2H3 |
| Smiles | CCCCCCCCC(CCCCCCCCCCCCCCC(CCCCC)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Typha Angustata (Plant) Rel Props:Source_db:cmaup_ingredients