01
Ingredients
(2s,3r,3as,4r,4's,5'r,6s,7ar)-3,4,4'-trihydroxy-3,5'-bis(hydroxymethyl)spiro[3a,4,5,6,7,7a-hexahydrobenzofuran-2,2'-tetrahydropyran]-6-carboxylic acid
C15H24O9
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 5
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (2s,3r,3as,4r,4's,5'r,6s,7ar)-3,4,4'-trihydroxy-3,5'-bis(hydroxymethyl)spiro[3a,4,5,6,7,7a-hexahydrobenzofuran-2,2'-tetrahydropyran]-6-carboxylic acid
- Molecular Formula
- C15H24O9
- Molecular Weight
- No data
- Canonical SMILES
- C1C(CC2C(C1O)C(C3(O2)CC(C(CO3)CO)O)(CO)O)C(=O)O
- Isomeric SMILES
- C1[C@@H](C[C@@H]2[C@H]([C@@H]1O)[C@]([C@@]3(O2)C[C@@H]([C@@H](CO3)CO)O)(CO)O)C(=O)O
- InChI
- InChI=1S/C15H24O9/c16-4-8-5-23-15(3-10(8)19)14(22,6-17)12-9(18)1-7(13(20)21)2-11(12)24-15/h7-12,16-19,22H,1-6H2,(H,20,21)/t7-,8+,9+,10-,11+,12-,14-,15-/m0/s1
- Oral Bioavailability
- 48.456
- Drug Likeness
- 0.329
- 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.