chempirical

Sodium 2′-deoxyguanosine 5′-(tetrahydrogen triphosphate) (3:1)

C10H13N5Na3O13P3CAS 93919-41-6573.13 g/mol

Open in Covalent MOL file
HNNHONNOHOPO−OOPO−OOPO−OOHONHNa+Na+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C10H13N5Na3O13P3
Molar mass
573.13 g/mol
Exact mass
572.9416 Da
logP
-2.21Crippen estimate
Polar surface area
279.9 Ų
H-bond donors / acceptors
8 / 12
Rotatable bonds
8
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
93919-41-6
SMILES
N=c1nc(O)c2ncn([C@H]3C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)O)O3)c2[nH]1.[Na+].[Na+].[Na+]
InChIKey
KQAICEQTDXGYDV-BIHLCPNHSA-N
InChI
InChI=1S/C10H16N5O13P3.3Na/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20;;;/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17);;;/t4-,5+,6+;;;/m0.../s1

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

Names and synonyms

2 names
  • Guanosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, sodium salt (1:3)
  • Guanosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, trisodium salt

Work with Sodium 2′-deoxyguanosine 5′-(tetrahydrogen triphosphate) (3:1)

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

Deoxyguanosine 5′-monophosphate disodium salt33430-61-475 % similar 5′-Gtp trisodium salt36051-31-775 % similar Guanosine 5′-diphosphate disodium salt7415-69-273 % similar Deoxyguanosine monophosphate902-04-570 % similar Guanosine 5′-triphosphoric acid disodium salt56001-37-765 % similar Thymidine 5′-(tetrahydrogen triphosphate), sodium salt (1:3)27821-54-163 % similar Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)72003-83-961 % similar Cyclic 3′,5′-guanosine monophosphate monosodium salt40732-48-759 % similar

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

Elsewhere

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