1,2,3,4,5-Cyclohexanepentol
PubChem CID: 101715
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| Compound Synonyms | 1,2,3,4,5-Cyclohexanepentol, cyclohexane-1,2,3,4,5-pentol, Viburnitol, 2-Deoxy-myo-inositol, Inositol, 1-deoxy-, epi-Quercitol, cyclohexanepentol, 62076-18-0, 2-Deoxy-epi-inositol, 1-L-1-deoxy-chiro-inositol, SCHEMBL1681800, DTXSID30871684, IMPKVMRTXBRHRB-UHFFFAOYSA-N, (-)-Viboquercitol, (-)-Viburnitol, (-)-vibo-Quercitol, L-Viburnitol, Quercitol, (-)-vibo-, Viburnitol, (-)-, 1,2,3,4,5-Cyclohexanepentol #, NSC382683, NSC601516, NSC601517, NSC602355, AKOS032948321, NSC-382683, NSC-601516, NSC-601517, NSC-602355 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cyclitols |
| Deep Smiles | OCCCO)CCC6O))O))O |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | cyclohexane-1,2,3,4,5-pentol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O5 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | IMPKVMRTXBRHRB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | viburnitol |
| Esol Class | Highly soluble |
| Functional Groups | CO |
| Compound Name | 1,2,3,4,5-Cyclohexanepentol |
| Exact Mass | 164.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 164.16 |
| Gi Absorption | False |
| 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/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2 |
| Smiles | C1C(C(C(C(C1O)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Polyols |
- 1. Outgoing r'ship
FOUND_INto/from Leucanthemum Vulgare (Plant) Rel Props:Reference:ISBN:9788172360481 - 2. Outgoing r'ship
FOUND_INto/from Viscum Album (Plant) Rel Props:Reference:ISBN:9788172363093