Adenine sulfateProduct ingredient for Adenine
- Name
- Adenine sulfate
- Drug Entry
- Adenine
A purine base and a fundamental unit of adenine nucleotides.
- Accession Number
- DBSALT002226
- Structure
Structure for Adenine sulfate (DBSALT002226)
- Synonyms
- Not Available
- UNII
- 741GJF3K9M
- CAS Number
- 321-30-2
- Weight
- Average: 368.33
Monoisotopic: 368.07637008 - Chemical Formula
- C10H12N10O4S
- InChI Key
- LQXHSCOPYJCOMD-UHFFFAOYSA-N
- InChI
- InChI=1S/2C5H5N5.H2O4S/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)
- IUPAC Name
- bis(9H-purin-6-amine); sulfuric acid
- SMILES
- OS(O)(=O)=O.NC1=C2N=CNC2=NC=N1.NC1=C2N=CNC2=NC=N1
- External Links
- ChemSpider
- 9077
- Predicted Properties
Property Value Source Water Solubility 19.8 mg/mL ALOGPS logP -0.38 ALOGPS logP -0.53 Chemaxon logS -0.83 ALOGPS pKa (Strongest Acidic) 9.9 Chemaxon pKa (Strongest Basic) 4.25 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 80.48 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 36.6 m3·mol-1 Chemaxon Polarizability 12.37 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon