Viscumitol
PubChem CID: 57459394
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| Compound Synonyms | Viscumitol, DTXSID70726664, 145680-48-4, Q7935898 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cyclitols |
| Deep Smiles | CO[C@@H][C@H]OC))[C@@H]O)[C@@H][C@@H][C@H]6O))O))O |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Alcohols and polyols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 167.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,2R,3S,4R,5S,6R)-5,6-dimethoxycyclohexane-1,2,3,4-tetrol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O6 |
| Scaffold Graph Node Bond Level | C1CCCCC1 |
| Inchi Key | HREVPIABJKTEDU-CNVXYERZSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | viscumitol |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC |
| Compound Name | Viscumitol |
| Exact Mass | 208.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 208.21 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16O6/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h3-12H,1-2H3/t3-,4+,5+,6-,7-,8+ |
| Smiles | CO[C@@H]1[C@H]([C@@H]([C@@H]([C@H]([C@@H]1OC)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 Viscum Album (Plant) Rel Props:Reference:ISBN:9788172363093