D-Digitoxose
PubChem CID: 2723626
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| Compound Synonyms | Digitoxose, D-Digitoxose, 2,6-Dideoxy-D-Ribo-Hexopyranose, D-Dig, 2,6-Dideoxy-Ribose, 2,6-Dideoxy-D-Ribose, 2,6-Dideoxy-Ribopyranose, 2,6-Dideoxy-Ribopyranoside, 2,6-Dideoxy-D-Ribopyranose, 2,6-Dideoxy-D-Ribopyranoside, 2,6-Dideoxy-Ribo-Hexopyranose, DIG, 2,6-Dideoxy-D-ribohexose, (4S,5S,6R)-6-methyloxane-2,4,5-triol, D-Digitoxose (>85%), D-digitoxopyranose, 2,6-dideoxyribohexopyranose, SCHEMBL2461505, AKOS015895140, MD00961, C21045, (4S,5S,6R)-6-methyltetrahydro-2H-pyran-2,4,5-triol, 208-416-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | OCC[C@H]O)[C@@H][C@H]O6)C))O |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 116.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4S,5S,6R)-6-methyloxane-2,4,5-triol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O4 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | FDWRIIDFYSUTDP-WGDKFINWSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | digitoxose |
| Esol Class | Very soluble |
| Functional Groups | CC(O)OC, CO |
| Compound Name | D-Digitoxose |
| Exact Mass | 148.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 148.16 |
| 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/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5?,6-/m1/s1 |
| Smiles | C[C@@H]1[C@H]([C@H](CC(O1)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
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