| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 8th, 2013 | 0 | Yes |
Popular Name: (3S,4R,5S)-1,3,4,5,6-Pentahydroxyhexan-2-one (3S,4R,5S)-1,3,4,5,6-Pentahydrox…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 139686-85-4 , 16354-64-6 , 17598-82-2 , 3615-56-3 , 551-68-8 , 57-48-7 , 7776-48-9 , 87-79-6 , 87-81-0
| 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) | -3.50 | -7.39 | -15.21 | 5 | 6 | 0 | 118 | 180.156 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Patent Database Links | EP1757296; US2003008833; US2003097029; US2004143024; US2005019881; US2007190160; WO2008124749 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.