L-chiro-Inositol, 1-deoxy-
PubChem CID: 441438
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| Compound Synonyms | 488-76-6, vibo-Quercitol, (-)-Viburnitol, (-)-vibo-Quercitol, Viburnitol, L-chiro-Inositol, 1-deoxy-, (1R,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol, 1-D-3-deoxy-myo-inositol, CHEBI:37600, D-1-deoxy-myo-inositol, (1R,2R,4S,5R)-cyclohexane-1,2,3,4,5-pentol, 1L-1,2,4/3,5-cyclohexanepentol, (1R,2R,3R,4S,5R)-cyclohexane-1,2,3,4,5-pentaol, Viburnitol, vibo-Quercitol, CHEMBL37104, SCHEMBL5151166, CHEMBL3351099, SCHEMBL17925160, DTXSID10331579, IMPKVMRTXBRHRB-RSVSWTKNSA-N, (-)-Viboquercitol, (-)-Viburnitol, (-)-vibo-Quercitol, L-Viburnitol, Quercitol, (-)-vibo-, Viburnitol, (-)-, HY-N1092, AKOS040755970, FS-9928, MD10114, CS-0016380, Q0069, C08259, Q27104416, (1R,2R,3R,4S,5R)-cyclohexane-1,2,3,4,5-pentol |
|---|---|
| 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 | O[C@@H]C[C@@H]O)[C@H]C[C@H]6O))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 | 4.0 |
| Iupac Name | (1R,2S,4R,5R)-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-RSVSWTKNSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | (-)-viburnitol, vibo-quercitol |
| Esol Class | Highly soluble |
| Functional Groups | CO |
| Compound Name | L-chiro-Inositol, 1-deoxy- |
| 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/t2-,3-,4-,5+,6?/m1/s1 |
| Smiles | C1[C@H]([C@H](C([C@H]([C@@H]1O)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 Achillea Millefolium (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Diploclisia Glaucescens (Plant) Rel Props:Reference:ISBN:9788185042145 - 3. Outgoing r'ship
FOUND_INto/from Gymnema Sylvestre (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279