chempirical

NAD sodium phosphate

C21H26N7Na2O17P3CAS 24292-60-2787.37 g/mol

Open in Covalent MOL file
NH2ON+OOPO−OOPO−OOONNH2NNNOPO−OOHOHHOHONa+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

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+]
InChIKey
WINXVPJGUQYDJA-WUEGHLCSSA-N
InChI
InChI=1S/C21H28N7O17P3.2Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);;/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1

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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium nadp1184-16-388 % similar Nicotinamide adenine dinucleotide phosphate53-59-867 % similar Nicotinamide adenine dinucleotide53-84-964 % similar Adenosine-5′-diphosphate disodium salt16178-48-662 % similar Thio-nad4090-29-360 % similar Amp sodium salt13474-03-858 % similar Adenosine 5'-diphosphate dipotassium salt114702-55-556 % similar Atp disodium987-65-556 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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