chempirical

Disodium guanylate

C10H12N5Na2O8PCAS 5550-12-9407.19 g/mol

Open in Covalent MOL file
NHNHONNOOPO−O−OOHOHNHNa+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C10H12N5Na2O8P
Molar mass
407.19 g/mol
Exact mass
407.0219 Da
logP
-3.09Crippen estimate
Polar surface area
207.0 Ų
H-bond donors / acceptors
7 / 9
Rotatable bonds
4
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
5550-12-9
SMILES
N=c1nc(O)c2ncn([C@@H]3O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]3O)c2[nH]1.[Na+].[Na+]
InChIKey
OSXDSXFEZDLGSO-LGVAUZIVSA-N
InChI
InChI=1S/C10H14N5O8P.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);;/t3-,5-,6-,9-;;/m1../s1

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Names and synonyms

20 names · show all
  • 5′-Guanylic acid, sodium salt (1:2)
  • 5′-Guanylic acid, disodium salt
  • Disodium 5′-guanylate
  • GMP disodium salt
  • Guanosine 5′-phosphate disodium salt
  • Disodium GMP
  • Disodium guanosine 5′-monophosphate
  • Guanosine 5′-monophosphate disodium salt
  • Disodium 5′-GMP
  • Sodium guanylate
  • Sodium 5′-guanylate
  • Sodium GMP
  • Sodium guanosine 5′-monophosphate
  • GMP sodium salt
  • Guanylic acid sodium salt
  • 5′-GMP disodium salt
  • Disodium guanosine 5′-phosphate
  • E 627
  • NSC 20265
  • Disodium guanosine monophosphate

Work with Disodium guanylate

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

Guanosine 5′-diphosphate disodium salt7415-69-277 % similar Guanosine monophosphate85-32-575 % similar 5′-Gtp trisodium salt36051-31-775 % similar Guanosine 5′-triphosphoric acid disodium salt56001-37-775 % similar Cyclic 3′,5′-guanosine monophosphate monosodium salt40732-48-774 % similar Deoxyguanosine 5′-monophosphate disodium salt33430-61-472 % similar Guanosine diphosphate146-91-870 % similar Guanosine 5′-(trihydrogen diphosphate), P′-D-mannopyranosyl ester, disodium salt103301-73-169 % similar

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

Elsewhere

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