Description
Nicotinamide adenine dinucleotide, a coenzyme central to cellular energy metabolism and redox reactions. Widely used as a research reagent in metabolic and cell-biology studies, including aging-related research.
Supplied for laboratory research or verified business use only. Not for human or veterinary consumption, not for personal use. A Certificate of Analysis is available on request for each lot.
Properties
| Molecular Formula | C21H27N7O14P2 |
| Molecular Weight | 663.4 g/mol |
| Monoisotopic Mass | 663.10912256 |
| Polar Surface Area | 321 Ų |
| Complexity | 1120 |
| XLogP | -6 |
| Heavy Atom Count | 44 |
| H-Bond Donor Count | 7 |
| H-Bond Acceptor Count | 18 |
| Rotatable Bond Count | 11 |
| Physical Appearance | Fine white to off-white lyophilized powder. |
| Stability | Lyophilized peptide should be stored at -20°C. Once reconstituted, store at 2-8°C and avoid repeated freeze-thaw cycles. |
Identifiers
| PubChem CID | 5892 |
| CAS Number | 53-84-9 |
| InChI | InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 |
| InChIKey | BAWFJGJZGIEFAR-NNYOXOHSSA-N |
| Isomeric SMILES | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N |
| Canonical SMILES | C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N |
| IUPAC Name | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate |
Structure and identifiers sourced from PubChem (CID 5892).
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