7,9,10-Nonacosanetriol
PubChem CID: 129864151
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| Compound Synonyms | 7,9,10-nonacosanetriol |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 347.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonacosane-7,9,10-triol |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 11.5 |
| Is Pains | False |
| Molecular Formula | C29H60O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YJPSPAUZXUUWRY-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 26.0 |
| Compound Name | 7,9,10-Nonacosanetriol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 456.454 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 456.454 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 456.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.213735200000002 |
| Inchi | InChI=1S/C29H60O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(31)29(32)26-27(30)24-22-8-6-4-2/h27-32H,3-26H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC(C(CC(CCCCCC)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Typha Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients