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COCONUT Compound
alpha-D-Glucose 6-phosphate
CNP0209092.1 · C6H13O9P · View on COCONUT ↗
2D Structure
Identifiers
| Name | alpha-D-Glucose 6-phosphate |
|---|---|
| IUPAC Name | [(2~{R},3~{S},4~{S},5~{R},6~{S})-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methyl dihydrogen phosphate |
| COCONUT ID | CNP0209092.1 |
| CAS | 15209-11-7 |
| InChIKey | NBSCHQHZLSJFNQ-DVKNGEFBSA-N |
| InChI | InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1 |
| SMILES | O=P(O)(O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O |
Properties
| Molecular Formula | C6H13O9P |
|---|---|
| Molecular Weight | 260.13 |
| Exact Mass | 260.02972 |
| Log P (ALogP) | -3.10 |
| TPSA | 156.91 |
| H-Bond Donors / Acceptors | 6 / 7 |
| Rotatable Bonds | 3 |
| Lipinski's Rule of 5 Violations | 1 |
| QED Drug-likeness | 0.29 |
| NP-likeness | 2.27 |
Classification
| NP Pathway | Carbohydrates |
|---|---|
| NP Superclass | Saccharides |
| NP Class | Monosaccharides |
| Chemical Superclass | Organic oxygen compounds |
| Chemical Class | Organooxygen compounds |
| Chemical Subclass | Carbohydrates and carbohydrate conjugates |
Reported in GR-MAPs Plants
| Catharanthus roseus | as “Catharanthus roseus” in COCONUT |
|---|
References (5)
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.