2,3-di-O-methyl-l-rhamnose
PubChem CID: 101432348
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| Compound Synonyms | 2,3-di-O-methyl-l-rhamnose |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Deep Smiles | CO[C@H][C@H][C@@H]O)C))O))[C@H]C=O))OC |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3R,4S,5S)-4,5-dihydroxy-2,3-dimethoxyhexanal |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O5 |
| Inchi Key | QGQQTJFIYNGSEU-XAMCCFCMSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 2,3-di-o-methyl-l-rhamnose |
| Esol Class | Highly soluble |
| Functional Groups | CC=O, CO, COC |
| Compound Name | 2,3-di-O-methyl-l-rhamnose |
| Exact Mass | 192.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 192.21 |
| 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/C8H16O5/c1-5(10)7(11)8(13-3)6(4-9)12-2/h4-8,10-11H,1-3H3/t5-,6-,7-,8-/m0/s1 |
| Smiles | C[C@@H]([C@@H]([C@H]([C@H](C=O)OC)OC)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
- 1. Outgoing r'ship
FOUND_INto/from Spilanthes Acmella (Plant) Rel Props:Reference:ISBN:9788172363093