Sarmentose
PubChem CID: 5460676
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| Compound Synonyms | Sarmentose, D-sarmentose, Sarmentose [MI], Sarmentose, D-, (+)-Sarmentose, 2-Deoxy-3-O-methyl-D-fucose, 90-56-2, UNII-41F6SJ1248, D-Xylo-hexose, 2,6-dideoxy-3-O-methyl-, (3S,4S,5R)-4,5-dihydroxy-3-methoxyhexanal, D-Xylo-hexopyranose, 2,6-dideoxy-3-O-methyl-, 41F6SJ1248, CHEBI:33982, DTXSID30420111, 13484-14-5, 2,6-dideoxy-3-O-methyl-D-xylo-hexose, SCHEMBL489623, DTXCID60370958, DTXSID201027449, Q7424300 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CO[C@H][C@H][C@H]O)C))O))CC=O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 115.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S,4S,5R)-4,5-dihydroxy-3-methoxyhexanal |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H14O4 |
| Inchi Key | GOYBREOSJSERKM-VQVTYTSYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | d-sarmentose, sarmentose |
| Esol Class | Highly soluble |
| Functional Groups | CC=O, CO, COC |
| Compound Name | Sarmentose |
| Exact Mass | 162.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 162.18 |
| 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/C7H14O4/c1-5(9)7(10)6(11-2)3-4-8/h4-7,9-10H,3H2,1-2H3/t5-,6+,7+/m1/s1 |
| Smiles | C[C@H]([C@@H]([C@H](CC=O)OC)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
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