1-Deoxygluco-heptulose 2-phosphate
[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl] dihydrogen phosphate
Also Known As: Heptulose-2-Phosphate|heptulose|Heptulose-2-P|6gpb|Heptulose 2-phosphate|1-Deoxygluco-heptulose 2-phosphate|1-Deoxy-D-gluco-heptulose 2-phosphate|1-Deoxy-2-O-phosphonohept-2-ulopyranose|1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose|1-deoxy-2-o-phosphono-|A-d-gluco-hept-2-ulopyranose|alpha-D-gluco-2-Heptulopyranose, 1-deoxy-, 2-(dihydrogen phosphate)|[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl] dihydrogen phosphate|H2P|(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl)oxy)phosphonic acid
| Molecular Formula | C7H15O9P |
|---|---|
| Molecular Weight | 274.04538 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.04538 |
| Monoisotopic Mass | 274.04538 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 98503-07-2 |
|---|---|
| SMILES | C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O |
| InChIKey | QZBAZODTRUGOQS-XUUWZHRGSA-N |
Product Overview
1-Deoxygluco-heptulose 2-phosphate (CAS 98503-07-2), with molecular formula C7H15O9P and molecular weight 274.04538 g/mol. IUPAC: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-methyloxan-2-yl] dihydrogen phosphate.