3-Hydroxy-1-oxacyclopentacosan-2-one
PubChem CID: 71421037
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| Compound Synonyms | 2-hydroxytetracosanolide, 81155-70-6, 3-HYDROXY-1-OXACYCLOPENTACOSAN-2-ONE, DTXSID60840207 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCCCCCCCCCCCCCCCCCCCCC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | OCCCCCCCCCCCCCCCCCCCCCCCOC%25=O |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Macrolides and analogues |
| Scaffold Graph Node Level | OC1CCCCCCCCCCCCCCCCCCCCCCCO1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxy-oxacyclopentacosan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 9.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H46O3 |
| Scaffold Graph Node Bond Level | O=C1CCCCCCCCCCCCCCCCCCCCCCCO1 |
| Inchi Key | RLZXLDRKPOCJTQ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-hydroxytetracosanolide |
| Esol Class | Poorly soluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | 3-Hydroxy-1-oxacyclopentacosan-2-one |
| Exact Mass | 382.345 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.345 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 382.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C24H46O3/c25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-27-24(23)26/h23,25H,1-22H2 |
| Smiles | C1CCCCCCCCCCCOC(=O)C(CCCCCCCCCC1)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Mukia Maderaspatana (Plant) Rel Props:Reference:ISBN:9770972795006