chempirical

Guanosine 5′-triphosphoric acid disodium salt

C10H14N5Na2O14P3CAS 56001-37-7567.14 g/mol

Open in Covalent MOL file
NHNHONNOOPO−OOPO−OOPOOHOHOHOHNHNa+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C10H14N5Na2O14P3
Molar mass
567.14 g/mol
Exact mass
566.9545 Da
logP
-2.85Crippen estimate
Polar surface area
300.1 Ų
H-bond donors / acceptors
9 / 13
Rotatable bonds
8
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
56001-37-7
SMILES
N=c1nc(O)c2ncn([C@@H]3O[C@H](COP([O-])(=O)OP([O-])(=O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1.[Na+].[Na+]
InChIKey
DHIFWVZWUDFHNP-LGVAUZIVSA-N
InChI
InChI=1S/C10H16N5O14P3.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);;/t3-,5-,6-,9-;;/m1../s1

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Names and synonyms

6 names
  • Guanosine 5′-(tetrahydrogen triphosphate), sodium salt (1:2)
  • Guanosine 5′-(tetrahydrogen triphosphate), disodium salt
  • GTP disodium salt
  • 5′-GTP di-Na salt
  • Disodium 5′-GTP
  • Disodium guanosine triphosphate

Work with Guanosine 5′-triphosphoric acid disodium 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

5′-Gtp trisodium salt36051-31-786 % similar Guanosine 5′-diphosphate disodium salt7415-69-283 % similar Guanosine monophosphate85-32-577 % similar Guanosine diphosphate146-91-876 % similar Guanosine 5′-(trihydrogen diphosphate), P′-D-mannopyranosyl ester, disodium salt103301-73-175 % similar Disodium guanylate5550-12-975 % similar Cyclic 3′,5′-guanosine monophosphate monosodium salt40732-48-773 % similar Sodium 2′-deoxyguanosine 5′-(tetrahydrogen triphosphate) (3:1)93919-41-665 % similar

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

Elsewhere

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