methyl 2,4-di-O-methyl-alpha-d-glucopyranoside
PubChem CID: 56650094
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| Compound Synonyms | SCHEMBL7152330, methyl 2,4-di-O-methyl-alpha-d-glucopyranoside |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CO[C@H][C@@H]OC))O[C@@H][C@H][C@@H]6O))OC)))CO |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5,6-trimethoxyoxan-4-ol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H18O6 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | GIHLORHCSSNTGS-WUNNTHRKSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | methyl-2,4-di-o-methyl-à-d-glucopyranoside |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC, CO[C@H](C)OC |
| Compound Name | methyl 2,4-di-O-methyl-alpha-d-glucopyranoside |
| Exact Mass | 222.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 222.24 |
| 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/C9H18O6/c1-12-7-5(4-10)15-9(14-3)8(13-2)6(7)11/h5-11H,4H2,1-3H3/t5-,6+,7-,8-,9+/m1/s1 |
| Smiles | CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)OC)OC)CO |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Marsilea Quadrifolia (Plant) Rel Props:Reference:ISBN:9770972795006