NAD sodium phosphate

C21H26N7Na2O17P3CAS 24292-60-2787.37 g/mol

NH2ON+OOPO−OOPO−OOONNNH2NNOPO−OHOHOHOHONa+Na+
AlcoholEtherPhosphatePrimary amine

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
24292-60-2
SMILES
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.

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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

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere