chempirical

Sodium nadp

C21H27N7NaO17P3CAS 1184-16-3765.39 g/mol

Open in Covalent MOL file
NH2ON+OOPO−OOPO−OOONNH2NNNOPOOHOHOHHOHONa+
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C21H27N7NaO17P3
Molar mass
765.39 g/mol
Exact mass
765.0574 Da
logP
-3.13Crippen 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
1184-16-3
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+]
InChIKey
ZUXQIVQXILFYQI-QYZPTAICSA-N
InChI
InChI=1S/C21H28N7O17P3.Na/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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Adenosine 5′-(trihydrogen diphosphate), 2′-(dihydrogen phosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt, sodium salt (1:1)
  • Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium hydroxide, inner salt, 2′-(dihydrogen phosphate), monosodium salt
  • Adenosine 5′-(trihydrogen diphosphate), 2′-(dihydrogen phosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt, monosodium salt
  • Adenosine 5′-(trihydrogen diphosphate), P′→5′-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium, inner salt, 2′-(dihydrogen phosphate), monosodium salt
  • NSC 20273

Work with Sodium nadp

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

NAD sodium phosphate24292-60-288 % similar Nicotinamide adenine dinucleotide phosphate53-59-876 % similar Nicotinamide adenine dinucleotide53-84-965 % similar Atp disodium987-65-562 % similar Sodium adenosine 5′-diphosphate20398-34-961 % similar Thio-nad4090-29-359 % similar Adenosine-5′-diphosphate disodium salt16178-48-655 % similar Trisodium adenosine 5′-diphosphate2092-65-155 % similar

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

Elsewhere

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