2,3,4-Tri-O-methyl-D-xylose
PubChem CID: 22215468
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| Compound Synonyms | 2,3,4-tri-o-methyl-d-xylose, 2,3,4-Tri-O-methylxylose, 95AWB55YGJ, 2,3,4-Tri-O-methylxylose, D-, D-Xylose, 2,3,4-tri-O-methyl-, UNII-95AWB55YGJ, 4060-04-2, SCHEMBL7156219, Q27271772 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CO[C@H][C@H]C=O))OC)))[C@H]OC))CO |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,3S,4R)-5-hydroxy-2,3,4-trimethoxypentanal |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O5 |
| Inchi Key | TZGIHUVVJVQDHY-XLPZGREQSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | 2,3,4-tri-o-methyl-d-xylose, 2,3,4-tri-o-methylxylose |
| Esol Class | Highly soluble |
| Functional Groups | CC=O, CO, COC |
| Compound Name | 2,3,4-Tri-O-methyl-D-xylose |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16O5/c1-11-6(4-9)8(13-3)7(5-10)12-2/h4,6-8,10H,5H2,1-3H3/t6-,7+,8+/m0/s1 |
| Smiles | CO[C@H](CO)[C@@H]([C@H](C=O)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Phoenix Dactylifera (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Tamarindus Indica (Plant) Rel Props:Reference:ISBN:9788172363178