HuagongsheHuagongshe Chemistry Print Report · For research reference only
Adenosine 5'-diphosphoribose
ADPR · Adenosine diphosphate ribose · Adenosindiphosphoribose · Ribose adenosinediphosphate · ADPR，Adenosindiphosphoribose · Adenosine pyrophosphate-ribose · Adenosine 5'-diphosphoric acid β-(5-deoxy-D-ribos-5-yl) ester · Adenosine 5'-(trihydrogen diphosphate), P'→5-ester with D-ribose
Identifiers & Physical Properties
| CAS No. | 20762-30-5 |
|---|---|
| Molecular formula | C15H23N5O14P2 |
| Average molar mass | 559.32 g/mol |
| SMILES | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O)C(O)C1O |
| InChIKey | SRNWOUGRCWSEMX-UHFFFAOYSA-N |
| PubChem CID | 192 |
Chemical & Physical Properties
| XLogP | -6.1 |
|---|---|
| Topological polar surface area | 292 |
| Hydrogen bond donors | 8 |
| Hydrogen bond acceptors | 18 |
| Rotatable bonds | 9 |
| Heavy atoms | 36 |
| Formal charge | 0 |
| Complexity | 876 |
| Physical Description | Solid |
| Collision Cross Section | 204.5 Ų [M+H2O-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)] |
| Boiling point | 1007.5±75.0 °C(Predicted) |
| Density | 2.24±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 1.13±0.50(Predicted) |
| Physical state | Solid |
| Color | Light yellow to yellow |
| FDA UNII | XV3S4KV26E |
Applications & Uses
Uses
2'/3'-O-(3-Methylglutaryl) ADP Ribose Disodium Salt are derivatives of ADP Ribose , which is a byproduct of β-Nicotinamide Adenine Dinucleotide (NAD) . NAD acts as coenzyme of redox reactions for energy transduction and is consumed as substrate to produce ADP Ribose.