Nonitol
PubChem CID: 21989285
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| Compound Synonyms | nonitol, SCHEMBL196190 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 182.0 |
| Hydrogen Bond Donor Count | 9.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | OCCCCCCCCCO))O))O))O))O))O))O))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | nonane-1,2,3,4,5,6,7,8,9-nonol |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -5.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H20O9 |
| Inchi Key | JGMMIGGLIIRHFV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 8.0 |
| Synonyms | glucononitol |
| Esol Class | Highly soluble |
| Functional Groups | CO |
| Compound Name | Nonitol |
| Exact Mass | 272.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.111 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 272.25 |
| 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/C9H20O9/c10-1-3(12)5(14)7(16)9(18)8(17)6(15)4(13)2-11/h3-18H,1-2H2 |
| Smiles | C(C(C(C(C(C(C(C(CO)O)O)O)O)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Reference:ISBN:9788172361150