Pentacosan-13-ol
PubChem CID: 14926689
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| Compound Synonyms | 13-Pentacosanol, PENTACOSAN-13-OL, 138966-97-9, DTXSID70565550, 13-hydroxypentacosane, SCHEMBL4982660, DTXCID30516326, CHEBI:228184 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 214.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | pentacosan-13-ol |
| Prediction Hob | 0.0 |
| Xlogp | 11.9 |
| Molecular Formula | C25H52O |
| Prediction Swissadme | 0.0 |
| Inchi Key | VQPXKBBANDVCGT-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.11 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.768 |
| Compound Name | Pentacosan-13-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.402 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.402 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 368.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.145678 |
| Inchi | InChI=1S/C25H52O/c1-3-5-7-9-11-13-15-17-19-21-23-25(26)24-22-20-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3 |
| Smiles | CCCCCCCCCCCCC(CCCCCCCCCCCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Garcinia Lucida (Plant) Rel Props:Source_db:cmaup_ingredients