2,4-Benzylidene-d-glucose
PubChem CID: 570480
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,4-Benzylidene-d-glucose, 2,4-O-Benzylidenehexose #, ROWVONBICVFYHB-UHFFFAOYSA-N |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Deep Smiles | OCCCOCOCC6O))C=O))))cccccc6)))))))))O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Dioxanes |
| Scaffold Graph Node Level | C1CCC(C2OCCCO2)CC1 |
| Classyfire Subclass | 1,3-dioxanes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(1,2-dihydroxyethyl)-5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H16O6 |
| Scaffold Graph Node Bond Level | c1ccc(C2OCCCO2)cc1 |
| Inchi Key | ROWVONBICVFYHB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2,4-benzylidene-d-glucose |
| Esol Class | Very soluble |
| Functional Groups | CC=O, CO, cC(OC)OC |
| Compound Name | 2,4-Benzylidene-d-glucose |
| Exact Mass | 268.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 268.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H16O6/c14-6-9(16)12-11(17)10(7-15)18-13(19-12)8-4-2-1-3-5-8/h1-5,7,9-14,16-17H,6H2 |
| Smiles | C1=CC=C(C=C1)C2OC(C(C(O2)C(CO)O)O)C=O |
| Np Classifier Biosynthetic Pathway | Polyketides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965