2,6-Di-O-methyl-d-galactopyranose
PubChem CID: 91699070
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| Compound Synonyms | CJUQCEZPMNQPIV-CGRSDTJUSA-N, 2,6-Di-O-methyl-d-galactopyranose |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 88.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | COC[C@@H]OCO)[C@H][C@H][C@H]6O))O))OC |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 175.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (3S,4S,5R,6S)-3-methoxy-6-(methoxymethyl)oxane-2,4,5-triol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O6 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CJUQCEZPMNQPIV-CGRSDTJUSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | 0.506 |
| Rotatable Bond Count | 3.0 |
| Logd | -1.554 |
| Synonyms | 2,6-di-o-methyl-d-galactopyranose |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC, COC(C)O |
| Compound Name | 2,6-Di-O-methyl-d-galactopyranose |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 208.21 |
| 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 |
| Esol | 0.371198 |
| Inchi | InChI=1S/C8H16O6/c1-12-3-4-5(9)6(10)7(13-2)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7-,8?/m0/s1 |
| Smiles | COC[C@H]1[C@@H]([C@@H]([C@@H](C(O1)O)OC)O)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
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