chempirical

Guanine sulfate

C5H7N5O5SCAS 10333-92-3249.20 g/mol

Open in Covalent MOL file
HNNOHNNHHNOSOHOOH
Phenol

Properties

Molecular formula
C5H7N5O5S
Molar mass
249.20 g/mol
Exact mass
249.0168 Da
logP
-1.18Crippen estimate
Polar surface area
176.0 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
0

Identifiers

CAS number
10333-92-3
SMILES
N=c1nc(O)c2nc[nH]c2[nH]1.O=S(=O)(O)O
InChIKey
NQGHRYWZFHJXFQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N5O.H2O4S/c6-5-9-3-2(4(11)10-5)7-1-8-3;1-5(2,3)4/h1H,(H4,6,7,8,9,10,11);(H2,1,2,3,4)

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

Names and synonyms

4 names
  • 6H-Purin-6-one, 2-amino-1,9-dihydro-, sulfate (2:1)
  • Guanine, sulfate (2:1) (salt)
  • 6H-Purin-6-one, 2-amino-1,7-dihydro-, sulfate (2:1)
  • Bis(2-amino-1,7-dihydro-6H-purin-6-one) sulfate

Work with Guanine sulfate

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

Guanine73-40-578 % similar Guanine hydrochloride635-39-272 % similar 2,5,6-Triaminopyrimidin-4-ol sulfuric acid salt35011-47-350 % similar 2,5,6-Triamino-4-hydroxypyrimidine sulfate39267-74-850 % similar 6-O-Methylguanine20535-83-549 % similar Thioguanine154-42-749 % similar 8-Azaguanine134-58-743 % similar Pterin2236-60-443 % similar

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

Elsewhere

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