| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2005 | 27 | No |
Popular Name: Monotropein Monotropein
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5945-50-6 , [5945-50-6]
(1S,4aS,7R,7aS)-1-(beta-D-Glucopyranosyloxy)-7-hydroxy-7-(hydroxymethyl)-1,4a,7,7
5945-50-6; C09788; Monotropein
Cyclopenta[c]pyran-4-carboxylicacid
| 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) | -2.93 | -14.66 | -56.58 | 6 | 11 | -1 | 189 | 389.333 | 5 | ↓ |
| Hi High (pH 8-9.5) | 7.90 | 4.61 | -21.54 | 0 | 8 | 0 | 104 | 562.558 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0440494A3; US5078750; US6143443; WO1996010408A1 | IBM Patent Data |
