Sorbitol 6-phosphate
PubChem CID: 152306
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| Compound Synonyms | Sorbitol 6-phosphate, Sorbitol-6-phosphate, D-glucitol 6-phosphate, D-SORBITOL-6-PHOSPHATE, 20479-58-7, 6-O-phosphono-D-glucitol, D-Glucitol, 6-(dihydrogen phosphate), D-sorbitol 6-phosphate, D-glucitol 6-(dihydrogen phosphate), CHEBI:17044, [(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate, S6P, ((2,3,4,5,6-pentahydroxyhexyl)oxy)phosphonic acid, [(2,3,4,5,6-pentahydroxyhexyl)oxy]phosphonic acid, (((2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl)oxy)phosphonic acid, {[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]oxy}phosphonic acid, ((2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl) dihydrogen phosphate, Sorbitol 6-phosphoric acid, Sorbitol-6-phosphoric acid, SCHEMBL17285, D-Glucitol 6-phosphoric acid, D-Sorbitol 6-phosphoric acid, DTXSID101315184, DB02548, D-Glucitol, 6-(dihydrogen phosphoric acid), DB-231850, NS00069023, C01096, Q27102187, 1-O-PHOSPHONO-D-GLUCITOL, D-GLUCITOL-6-PHOSPHATE, 496BF597-EBDF-426A-9B3A-9384F6C45B5A, 6-O-phosphono-D-glucitol, D-glucitol 6-(dihydrogen phosphate) |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 168.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Pfizer 3 75 Rule | True |
| Deep Smiles | OC[C@@H][C@H][C@@H][C@@H]COP=O)O)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 | 240.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] dihydrogen phosphate |
| Veber Rule | False |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -4.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C6H15O9P |
| Inchi Key | GACTWZZMVMUKNG-SLPGGIOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | sorbitol 6-phosphate, sorbitol-6-phosphate |
| Esol Class | Highly soluble |
| Functional Groups | CO, COP(=O)(O)O |
| Compound Name | Sorbitol 6-phosphate |
| Exact Mass | 262.045 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.045 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 262.15 |
| 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/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1 |
| Smiles | C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)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 Eriobotrya Japonica (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16660798