§ 2
For laboratory research use only. Not for human or animal consumption.
SergRussu · CC BY-SA 4.0
All photos
NAD+
Identity
| Field | Value |
|---|---|
| IUPAC name | [[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate |
| 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 |
| 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) |
| InChIKey | BAWFJGJZGIEFAR-UHFFFAOYSA-N |
Chemistry
| Field | Value |
|---|---|
| Compound class | Coenzyme (small molecule) |
| Formula | C₂₁H₂₇N₇O₁₄P₂ |
| Molecular weight | 663.43 |
| CAS | 53-84-9 |
| PubChem | PubChem CID 925 (opens in a new tab) |
2D structure
3D structure
Experimental structure · X-ray crystallography · RCSB PDB 4ND4 Bound to Cryptosporidium parvum lactate dehydrogenase, with pyruvate.
Additional properties
| Property | Value |
|---|---|
| Exact mass | 663.10912256 Da |
| Monoisotopic mass | 663.10912256 Da |
| XLogP3 | -6 |
| Topological polar surface area | 321 Ų |
| Hydrogen bond donors | 7 |
| Hydrogen bond acceptors | 18 |
| Rotatable bonds | 11 |
| Heavy atoms | 44 |
Also known as
beta-nicotinamide adenine dinucleotide, Beta-diphosphopyridine, Endopride, b-Nicotinamide adenine dinucleotide, EC-Nicotinamide adenine dinucleotide
Sources
| Source | Kind | Retrieved |
|---|---|---|
PubChem | Oct 12, 2026 | |
Registry | Oct 12, 2026 |
Products containing this compound
| Product | Milligrams |
|---|---|
entire fill |