Inosine-5'-triphosphate trisodium salt

C10H12N4Na3O14P3CAS 35908-31-7574.11 g/mol

Open in Covalent MOL file
NOHNNNOOPOO−OPOO−OPOOHO−OHHONa+Na+Na+
AlcoholEtherPhosphate

Properties

Molecular formula
C10H12N4Na3O14P3
Molar mass
574.11 g/mol
Exact mass
573.9256 Da
logP
-12.80Crippen estimate
Polar surface area
281.6 Ų
H-bond donors / acceptors
4 / 15
Rotatable bonds
8
Stereocentres
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.

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Identifiers

CAS number
35908-31-7
SMILES
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O.[Na+].[Na+].[Na+]
InChIKey
QRGLCGLOQVQVCS-MSQVLRTGSA-K
InChI
InChI=1S/C10H15N4O14P3.3Na/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1

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Names and synonyms

1 names
  • Inosine 5'-triphosphate trisodium salt hydrate

Work with Inosine-5'-triphosphate trisodium salt

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

Adenosine-5′-diphosphate disodium salt16178-48-671 % similar 5′-GTP trisodium salt36051-31-765 % similar Adenosine 5'-diphosphate dipotassium salt114702-55-564 % similar Guanosine 5′-diphosphate disodium salt7415-69-262 % similar ATP disodium987-65-561 % similar Uridine-5′-triphosphate trisodium salt19817-92-660 % similar Adenosine 5'-monophosphate sodium salt13474-03-859 % similar Trisodium adenosine 5′-diphosphate2092-65-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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