chempirical

5′-Gtp trisodium salt

C10H13N5Na3O14P3CAS 36051-31-7589.13 g/mol

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

Properties

Molecular formula
C10H13N5Na3O14P3
Molar mass
589.13 g/mol
Exact mass
588.9365 Da
logP
-3.24Crippen 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
36051-31-7
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+].[Na+]
InChIKey
RLEBUCJSVMPZDI-CYCLDIHTSA-N
InChI
InChI=1S/C10H16N5O14P3.3Na/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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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Guanosine 5′-(tetrahydrogen triphosphate), trisodium salt

Work with 5′-Gtp 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

Guanosine 5′-diphosphate disodium salt7415-69-297 % similar Guanosine 5′-triphosphoric acid disodium salt56001-37-786 % similar Sodium 2′-deoxyguanosine 5′-(tetrahydrogen triphosphate) (3:1)93919-41-675 % 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 Guanosine monophosphate85-32-569 % similar Guanosine diphosphate146-91-867 % similar

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

Elsewhere

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