d-Gluco-l-glycero-3-octulose
PubChem CID: 129650461
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| Compound Synonyms | d-gluco-l-glycero-3-octulose |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 159.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | OC[C@H][C@H][C@@H][C@H]C=O)[C@@H]CO))O)))O))O))O))O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (2R,4R,5S,6R,7R)-1,2,4,5,6,7,8-heptahydroxyoctan-3-one |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -4.5 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H16O8 |
| Inchi Key | CHYFDITTXCBLJE-FIMRYQIOSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | d-gluco-l-glycero-3-octulose |
| Esol Class | Highly soluble |
| Functional Groups | CC(C)=O, CO |
| Compound Name | d-Gluco-l-glycero-3-octulose |
| Exact Mass | 240.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.085 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 240.21 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H16O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3-5,7-13,15-16H,1-2H2/t3-,4-,5-,7+,8+/m1/s1 |
| Smiles | C([C@H]([C@H]([C@@H]([C@H](C(=O)[C@@H](CO)O)O)O)O)O)O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Reference:ISBN:9788172362461