L-Sorbose
PubChem CID: 439192
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| Compound Synonyms | L-sorbopyranose, L-sorbose, sorbose, Sorbopyranoside, L-Sorbopyranoside, L-Sor, Xylo-Hexopyran-2-ulose, Xylo-Hex-2-ulo-Pyranose, L-Xylo-Hexopyran-2-ulose, L-Xylo-Hex-2-ulo-Pyranose, SOR, sorbopyranose, L-xylo-Hexulose, CHEBI:48649, L Sorbose, (3S,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol, SCHEMBL3137590, CHEBI:17266, AKOS024284330, S0066, C00247, Q27104622 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 110.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | OCCO)OC[C@@H][C@H][C@@H]6O))O))O |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCOCC1 |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 162.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3S,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H12O6 |
| Scaffold Graph Node Bond Level | C1CCOCC1 |
| Inchi Key | LKDRXBCSQODPBY-AMVSKUEXSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | l-sorbose, sorbose |
| Esol Class | Highly soluble |
| Functional Groups | CO, COC(C)(C)O |
| Compound Name | L-Sorbose |
| Exact Mass | 180.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 180.16 |
| 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/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6?/m0/s1 |
| Smiles | C1[C@@H]([C@H]([C@@H](C(O1)(CO)O)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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