01
Ingredients
(2r,3r,4s,5s,6r)-2-[[(1s,4ar,5s,7as)-5-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
C15H22O9
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2r,3r,4s,5s,6r)-2-[[(1s,4ar,5s,7as)-5-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-methylol-tetrahydropyran-3,4,5-triol
- Molecular Formula
- C15H22O9
- Molecular Weight
- No data
- Canonical SMILES
- C1=COC(C2C1C(C=C2CO)O)OC3C(C(C(C(O3)CO)O)O)O
- Isomeric SMILES
- C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- InChI
- InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15+/m0/s1
- Oral Bioavailability
- 4.149
- Drug Likeness
- 0.297
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
