2,3-Di-O-methyl-L-arabinose
PubChem CID: 119025924
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| Compound Synonyms | 2,3-Di-O-methyl-L-arabinose, 9TX1VTR10G, 2,3-Di-O-methylarabinose, L-, L-Arabinose, 2,3-di-O-methyl-, Arabinose, 2,3-di-O-methyl-, L-, UNII-9TX1VTR10G, 6778-35-4, Q27273220 |
|---|---|
| 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=O))OC)))[C@H]CO))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2R,3S,4S)-4,5-dihydroxy-2,3-dimethoxypentanal |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H14O5 |
| Inchi Key | RTNZMCCAPWYVBP-ACZMJKKPSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 2,3-di-o-methyl-l-arabinose |
| Esol Class | Highly soluble |
| Functional Groups | CC=O, CO, COC |
| Compound Name | 2,3-Di-O-methyl-L-arabinose |
| Exact Mass | 178.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 178.18 |
| 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/C7H14O5/c1-11-6(4-9)7(12-2)5(10)3-8/h4-8,10H,3H2,1-2H3/t5-,6-,7-/m0/s1 |
| Smiles | CO[C@@H](C=O)[C@H]([C@H](CO)O)OC |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
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FOUND_INto/from Pastinaca Sativa (Plant) Rel Props:Reference:ISBN:9788172362461