| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 9 | Yes |
Popular Name: Cyclohexane-1,3,5-triol Cyclohexane-1,3,5-triol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 108-73-6 , 13314-30-2 , 2041-15-8 , 50409-12-6 , 6099-90-7 , [2041-15-8]
(1Alpha,3alpha,5alpha)-1,3,5-cyclohexanetriol
1,3,5-Cyclohexanetriol (cis- and trans- mixture)
1,3,5-Trihydroxybenzene dihydrate
1a,3a,5b-Cyclohexane-1,3,5-triol
cis-1,3,5-Trihydroxycyclohexane
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.95 | -5.17 | -8.83 | 3 | 3 | 0 | 61 | 132.159 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 188 | TCI |
| Melting_Point | 214-217? | Alfa-Aesar |
| Melting_Point | 214-217° | Alfa-Aesar |
| Melting_Point | 215-220? | Alfa-Aesar |
| Melting_Point | 215-220° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Purity | 98% | Fluorochem |
| Purity | 99% | APIChem |
| Purity | 99% ee | APIChem |
No pre-computed analogs available. Try a structural similarity search.