(4S,5S,6S)-4-methoxy-6-methyloxane-2,5-diol
PubChem CID: 10130117
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL4549522 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CO[C@H]CCO)O[C@H][C@@H]6O))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 128.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4S,5S,6S)-4-methoxy-6-methyloxane-2,5-diol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H14O4 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | DBDJCJKVEBFXHG-KQXJUZEQSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | l-oleandrose, oleandrose |
| Esol Class | Very soluble |
| Functional Groups | CC(O)OC, CO, COC |
| Compound Name | (4S,5S,6S)-4-methoxy-6-methyloxane-2,5-diol |
| Exact Mass | 162.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 162.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H14O4/c1-4-7(9)5(10-2)3-6(8)11-4/h4-9H,3H2,1-2H3/t4-,5-,6?,7-/m0/s1 |
| Smiles | C[C@H]1[C@@H]([C@H](CC(O1)O)OC)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Caralluma Tuberculata (Plant) Rel Props:Reference:ISBN:9788185042053 - 2. Outgoing r'ship
FOUND_INto/from Dregea Volubilis (Plant) Rel Props:Reference:ISBN:9788172361150 - 3. Outgoing r'ship
FOUND_INto/from Pergularia Daemia (Plant) Rel Props:Reference:ISBN:9788172361150