Metabolite Hypoxanthine
- Name
- Hypoxanthine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 136.1115
Monoisotopic: 136.03851077 - Chemical Formula
- C5H4N4O
- InChI Key
- FDGQSTZJBFJUBT-UHFFFAOYSA-N
- InChI
- InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
- IUPAC Name
- 6,7-dihydro-3H-purin-6-one
- SMILES
- OC1=NC=NC2=C1NC=N2
- Reactions
- Didanosine Hypoxanthine
- Adenosine Inosine
- Inosine Hypoxanthine
- Hypoxanthine Xanthine
- Xanthine Uric acid
- Hypoxanthine Xanthine
- Inosine Hypoxanthine
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 121.381752 predictedDarkChem Lite v0.1.0 [M-H]- 121.328552 predictedDarkChem Lite v0.1.0 [M-H]- 121.471852 predictedDarkChem Lite v0.1.0 [M-H]- 122.39554 predictedDeepCCS 1.0 (2019) [M-H]- 121.381752 predictedDarkChem Lite v0.1.0 [M-H]- 121.328552 predictedDarkChem Lite v0.1.0 [M-H]- 121.471852 predictedDarkChem Lite v0.1.0 [M-H]- 122.39554 predictedDeepCCS 1.0 (2019) [M+H]+ 122.382552 predictedDarkChem Lite v0.1.0 [M+H]+ 122.442352 predictedDarkChem Lite v0.1.0 [M+H]+ 122.364452 predictedDarkChem Lite v0.1.0 [M+H]+ 124.537766 predictedDeepCCS 1.0 (2019) [M+H]+ 122.382552 predictedDarkChem Lite v0.1.0 [M+H]+ 122.442352 predictedDarkChem Lite v0.1.0 [M+H]+ 122.364452 predictedDarkChem Lite v0.1.0 [M+H]+ 124.537766 predictedDeepCCS 1.0 (2019) [M+Na]+ 121.893052 predictedDarkChem Lite v0.1.0 [M+Na]+ 121.948852 predictedDarkChem Lite v0.1.0 [M+Na]+ 133.26193 predictedDeepCCS 1.0 (2019) [M+Na]+ 121.893052 predictedDarkChem Lite v0.1.0 [M+Na]+ 121.948852 predictedDarkChem Lite v0.1.0 [M+Na]+ 133.26193 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0000157
- KEGG Compound
- C00262
- ChemSpider
- 768
- BindingDB
- 82018
- ChEBI
- 17368
- ChEMBL
- CHEMBL1427
- ZINC
- ZINC000018153302
- PDBe Ligand
- HPA
- Wikipedia
- Hypoxanthine
- Predicted Properties
Property Value Source Water Solubility 2.2 mg/mL ALOGPS logP -0.74 ALOGPS logP -0.36 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 9.41 Chemaxon pKa (Strongest Basic) 2.28 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 70.14 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 35.61 m3·mol-1 Chemaxon Polarizability 11.78 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon