NAD sodium phosphate
Properties
- Molecular formula
- C21H26N7Na2O17P3
- Molar mass
- 787.37 g/mol
- Exact mass
- 787.0393 Da
- logP
- -3.51Crippen estimate
- Polar surface area
- 368.6 Ų
- H-bond donors / acceptors
- 9 / 18
- Rotatable bonds
- 13
- Stereocentres
- R, R, R, R, R, R, S, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
24292-60-2SMILES
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc45)[C@H](OP([O-])(=O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.[Na+].[Na+]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Adenosine 5′-(trihydrogen diphosphate), 2′-(dihydrogen phosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt, disodium salt
- Pyridinium, 3-carbamoyl-1-β-D-ribofuranosyl-, hydroxide, 5′→5′-ester with adenosine 2′-(dihydrogen phosphate) 5′-(trihydrogen pyrophosphate), inner salt, disodium salt
- Adenosine 5′-(trihydrogen diphosphate), 2′-(dihydrogen phosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium hydroxide, inner salt, disodium salt
- Disodium NADP
Work with NAD sodium phosphate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Nicotinamide adenine dinucleotide53-84-964 % similar
Adenosine-5′-diphosphate disodium salt16178-48-662 % similar
Thio-NAD4090-29-360 % similar
Adenosine 5'-monophosphate sodium salt13474-03-858 % similar
Adenosine 5'-diphosphate dipotassium salt114702-55-556 % similar
ATP disodium987-65-556 % similar
Sodium adenosine 5′-diphosphate20398-34-955 % similar
Trisodium adenosine 5′-diphosphate2092-65-154 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.