| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 12 | Yes |
Popular Name: D-sorbose D-sorbose
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3615-39-2 , 3615-56-3 , 4205-23-6 , 5978-95-0 , 7776-48-9
(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
(3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one; D-sorbose
3615-39-2; C01452; DL-Sorbose; Sorbose; xylo-Hexulose
| 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 | -15.03 | 5 | 6 | 0 | 118 | 180.156 | 5 | ↓ |
| Ref Reference (pH 7) | -2.64 | -6.44 | -12.28 | 5 | 6 | 0 | 118 | 180.156 | 5 | ↓ |
| Hi High (pH 8-9.5) | -3.50 | -6.64 | -55.22 | 4 | 6 | -1 | 121 | 179.148 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 163-165? | Alfa-Aesar |
| Melting_Point | 163-165° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 2.61e+02 g/l | DrugBank-experimental |
| Patent Database Links | EP1757296; EP1870102; US2002016300; US2004082807; US2004199029; US2005171028; US2005267169; US2006079713; US2006280688; US2008279781; WO2005020881 | ChEBI |
| UniProt Database Links | FSAB_ECOLI; LAD_HYPJE | ChEBI |
| Patent Database Links | US2004143024 | ChEBI |
