4229-56-5
| Name | 1,4-Dihydronicotinamide mononucleotide |
| CAS | 4229-56-5 |
| Molecular Formula | C11H17N2O8P |
| MDL Number | MFCD32856535 |
| Molecular Weight | 336.23 |
| MOL File | 4229-56-5.mol |
Chemical Properties
| Boiling point | 724.0±70.0 °C(Predicted) |
| density | 1.728±0.06 g/cm3(Predicted) |
| pka | 1.86±0.10(Predicted) |
| InChI | InChI=1S/C11H17N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1,3-4,7-9,11,14-15H,2,5H2,(H2,12,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1 |
| InChIKey | XQHMUSRSLNRVGA-TURQNECASA-N |
| SMILES | C1N([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C=CCC=1C(N)=O |