| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2008 | 10 | Yes |
Popular Name: Isosorbide Isosorbide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 652-67-5 , [652-67-5]
(3R,3aR,6S,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diol
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
(3S,3aR,6R,6aR)-Hexahydro-furo[3,2-b]furan-3,6-diol
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol
5-19-03-00201 (Beilstein Handbook Reference)
652-67-5; D00347; Ismotic (TN); Isobide (TN); Isosorbide (JP16/USP/INN)
A912284D-27E1-4FB0-91B8-86C8AB905297
D-Glucitol, 1,4:3,6-dianhydro-
D-Mannitol, 1,4:3,6-dianhydro-
D-Sorbitol, 1,4:3,6-dianhydro(furo[3,2-b]furan-3,6-diol, hexahydro-)
D-Sorbitol, {1,4:3,6-dianhydro(furo[3,2-b]furan-3,6-diol,} hexahydro-)
| 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) | -1.31 | -4.35 | -8.22 | 2 | 4 | 0 | 59 | 146.142 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 56 - 62 | Acros Organics |
| Melting_Point | 56-64? | Alfa-Aesar |
| Melting_Point | 56-64° | Alfa-Aesar |
| MP | 61 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| biological_use | Diuretic | IBScreen Bioactives |
| mechanism | Guanylate cyclase stimulator | IBScreen Bioactives |
| biological_use | Hypotensive | IBScreen Bioactives IBScreen Bioactives |
| biological_source | Isol. from the fruit of Cotoneaster microphylla | ZereneX Building Blocks |
| Target | Others | Selleck Chemicals |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.